(6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol

C31H28O2 — CID 134971924

IUPAC(6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol
SMILESC[C@@H]1CCc2ccc3cc(O)ccc3c2C1=C=C1c2c(ccc3cc(O)ccc23)CC[C@H]1C
InChIInChI=1S/C31H28O2/c1-18-3-5-20-7-9-22-15-24(32)11-13-26(22)30(20)28(18)17-29-19(2)4-6-21-8-10-23-16-25(33)12-14-27(23)31(21)29/h7-16,18-19,32-33H,3-6H2,1-2H3/t17?,18-,19-/m1/s1
InChIKeySEBVJDOIGIJVME-OMKBGSMGSA-N
MW432.56 g/mol
LogP7.63
Rot. Bonds

About (6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol

(6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol (PubChem CID 134971924) has the molecular formula C31H28O2 and a molecular weight of 432.56 g/mol. Its IUPAC name is (6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol.

Molecular Properties

Compound Name(6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol
PubChem CID134971924
Molecular FormulaC31H28O2
Molecular Weight432.56 g/mol
Exact Mass432.21
IUPAC Name(6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol
SMILESC[C@@H]1CCc2ccc3cc(O)ccc3c2C1=C=C1c2c(ccc3cc(O)ccc23)CC[C@H]1C
InChIInChI=1S/C31H28O2/c1-18-3-5-20-7-9-22-15-24(32)11-13-26(22)30(20)28(18)17-29-19(2)4-6-21-8-10-23-16-25(33)12-14-27(23)31(21)29/h7-16,18-19,32-33H,3-6H2,1-2H3/t17?,18-,19-/m1/s1
InChIKeySEBVJDOIGIJVME-OMKBGSMGSA-N
XLogP7.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol with MolForge

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Related Compounds

1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol
CID 115010784
3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one
CID 143069879
7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057019
11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol
CID 142144674
1,1-diethyl-3,4-dihydro-2H-chrysene-2,8-diol
CID 20978557
1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol
CID 10015760
3-(2,7-dihydroxy-2-methyl-3,4-dihydro-1H-phenanthren-1-yl)propanoic acid
CID 6432060
6-amino-5-methoxynaphthalen-2-ol
CID 115017706
7-(aminomethyl)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 115057280
7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol
CID 139779177
(13S,14S)-3-hydroxy-13-methyl-15,16-dihydro-14H-cyclopenta[a]phenanthren-17-one
CID 42626552
(13S)-3-hydroxy-13-methyl-15,16-dihydro-12H-cyclopenta[a]phenanthren-17-one
CID 121232404

Frequently Asked Questions

What is the IUPAC name of (6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol?
The IUPAC name of (6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol (CID 134971924) is (6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol.
What is the SMILES notation for (6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol?
The canonical SMILES for (6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol is C[C@@H]1CCc2ccc3cc(O)ccc3c2C1=C=C1c2c(ccc3cc(O)ccc23)CC[C@H]1C.
What is the InChIKey of (6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol?
The InChIKey is SEBVJDOIGIJVME-OMKBGSMGSA-N. The full InChI is InChI=1S/C31H28O2/c1-18-3-5-20-7-9-22-15-24(32)11-13-26(22)30(20)28(18)17-29-19(2)4-6-21-8-10-23-16-25(33)12-14-27(23)31(21)29/h7-16,18-19,32-33H,3-6H2,1-2H3/t17?,18-,19-/m1/s1.
What are the key properties of (6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol?
(6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol has a molecular weight of 432.56 g/mol, XLogP of 7.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol is sourced from PubChem (CID 134971924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).