6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one

C19H24O2 — CID 163010898

IUPAC6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one
SMILESCOc1cc2c(cc1C)C=CC1C(C)(C)C(=O)CCC21C
InChIInChI=1S/C19H24O2/c1-12-10-13-6-7-16-18(2,3)17(20)8-9-19(16,4)14(13)11-15(12)21-5/h6-7,10-11,16H,8-9H2,1-5H3
InChIKeyUSPLRJUDIZISBN-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.29
Rot. Bonds1

About 6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one

6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one (PubChem CID 163010898) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one.

Molecular Properties

Compound Name6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one
PubChem CID163010898
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one
SMILESCOc1cc2c(cc1C)C=CC1C(C)(C)C(=O)CCC21C
InChIInChI=1S/C19H24O2/c1-12-10-13-6-7-16-18(2,3)17(20)8-9-19(16,4)14(13)11-15(12)21-5/h6-7,10-11,16H,8-9H2,1-5H3
InChIKeyUSPLRJUDIZISBN-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4aR)-6-methoxy-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthren-2-ol
CID 102361046
6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
CID 22218219
6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
CID 628775
(4aR,10aS)-6-hydroxy-7-methoxy-1,1,4a-trimethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
CID 23643424
3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one
CID 116538548
8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one
CID 11402783
2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 117344693
(4aR,10aS)-6-hydroxy-5-methoxy-1,1,4a,7-tetramethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
CID 11808829
(8S,9R,13S,14S)-3-methoxy-2,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 124837092
3,6,9-trimethoxy-1,1,7-trimethylphenanthren-2-one
CID 14731300
5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 82049150
2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
CID 117316532

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one?
The IUPAC name of 6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one (CID 163010898) is 6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one.
What is the SMILES notation for 6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one?
The canonical SMILES for 6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one is COc1cc2c(cc1C)C=CC1C(C)(C)C(=O)CCC21C.
What is the InChIKey of 6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one?
The InChIKey is USPLRJUDIZISBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-12-10-13-6-7-16-18(2,3)17(20)8-9-19(16,4)14(13)11-15(12)21-5/h6-7,10-11,16H,8-9H2,1-5H3.
What are the key properties of 6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one?
6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one has a molecular weight of 284.40 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one is sourced from PubChem (CID 163010898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).