4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol

C21H24O2 — CID 22747819

IUPAC4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol
SMILESOc1ccc(CC23CCCCC2CCc2cc(O)ccc23)cc1
InChIInChI=1S/C21H24O2/c22-18-8-4-15(5-9-18)14-21-12-2-1-3-17(21)7-6-16-13-19(23)10-11-20(16)21/h4-5,8-11,13,17,22-23H,1-3,6-7,12,14H2
InChIKeyWECZXCVQUBMPBJ-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.71
Rot. Bonds2

About 4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol

4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol (PubChem CID 22747819) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol.

Molecular Properties

Compound Name4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol
PubChem CID22747819
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol
SMILESOc1ccc(CC23CCCCC2CCc2cc(O)ccc23)cc1
InChIInChI=1S/C21H24O2/c22-18-8-4-15(5-9-18)14-21-12-2-1-3-17(21)7-6-16-13-19(23)10-11-20(16)21/h4-5,8-11,13,17,22-23H,1-3,6-7,12,14H2
InChIKeyWECZXCVQUBMPBJ-UHFFFAOYSA-N
XLogP4.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol with MolForge

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Related Compounds

2-[(4aS,10aR)-7-hydroxy-4a-[(4-hydroxyphenyl)methyl]-1,3,4,9,10,10a-hexahydrophenanthren-2-ylidene]acetonitrile
CID 91569610
(4aS,10aR)-4a-benzyl-2-phenyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol
CID 68580774
(2R,4aR,10aS)-4a-benzyl-2,7-dihydroxy-1,3,4,9,10,10a-hexahydrophenanthrene-2-carbonitrile
CID 87504750
1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol
CID 162670528
6-aminospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-2-ol
CID 115057087
(2R,3S,4aR,10aR)-2-benzyl-4a-prop-2-enyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol;(2R,3R,4aR,10aR)-2-benzyl-4a-prop-2-enyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol
CID 158477159
(3S,4aR,10aR)-2-benzyl-4a-prop-2-enyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol
CID 163431071
(2S,4aR,10aR)-4a-ethyl-2,7-dihydroxy-1,2,4,9,10,10a-hexahydrophenanthren-3-one
CID 25258385
(4aR,10aS)-7-hydroxy-4a-propyl-1,3,4,9,10,10a-hexahydrophenanthren-2-one
CID 68581610
(2R,3R,4aR,10aR)-2-benzyl-4a-ethyl-3-methyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol
CID 58742309
(2R,4R,5R,7S)-2-benzyl-13-methyl-5-phenyltricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene-4,5-diol;(2R,4R,5R,7S)-2-benzyl-5-phenyltricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene-4,5,13-triol
CID 159030416
4b-benzyl-7-(ethoxyamino)-6,8a,9,10-tetrahydro-5H-phenanthren-2-ol
CID 90719552

Frequently Asked Questions

What is the IUPAC name of 4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol?
The IUPAC name of 4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol (CID 22747819) is 4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol.
What is the SMILES notation for 4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol?
The canonical SMILES for 4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol is Oc1ccc(CC23CCCCC2CCc2cc(O)ccc23)cc1.
What is the InChIKey of 4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol?
The InChIKey is WECZXCVQUBMPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c22-18-8-4-15(5-9-18)14-21-12-2-1-3-17(21)7-6-16-13-19(23)10-11-20(16)21/h4-5,8-11,13,17,22-23H,1-3,6-7,12,14H2.
What are the key properties of 4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol?
4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol has a molecular weight of 308.42 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol is sourced from PubChem (CID 22747819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).