(2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol

C18H26O — CID 135067648

IUPAC(2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol
SMILESCc1ccc2c(c1)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C18H26O/c1-12-5-7-14-13(11-12)6-8-15-17(2,3)16(19)9-10-18(14,15)4/h5,7,11,15-16,19H,6,8-10H2,1-4H3/t15-,16-,18+/m0/s1
InChIKeyYAKXDJHTDDCDEH-XYJFISCASA-N
MW258.40 g/mol
LogP4.00
Rot. Bonds

About (2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol

(2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol (PubChem CID 135067648) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is (2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol.

Molecular Properties

Compound Name(2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol
PubChem CID135067648
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name(2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol
SMILESCc1ccc2c(c1)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C18H26O/c1-12-5-7-14-13(11-12)6-8-15-17(2,3)16(19)9-10-18(14,15)4/h5,7,11,15-16,19H,6,8-10H2,1-4H3/t15-,16-,18+/m0/s1
InChIKeyYAKXDJHTDDCDEH-XYJFISCASA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,4a-trimethyl-6-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol
CID 163002569
(4aR,6aS,6aR,6bR,14aS,14bR)-4,4,6a,6a,10,14b-hexamethyl-1,2,3,4a,5,6,6b,7,8,13,14,14a-dodecahydropicene
CID 162907534
1-[(4bS,7S,8aR)-7-hydroxy-3-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propan-1-one
CID 127040192
4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-1,7-diol
CID 162849911
1-[(4bS,7S,8aR)-7-hydroxy-3-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]-2-methylpropan-1-one
CID 127042312
1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol
CID 115010757
(4bS,7S,8aR)-7-hydroxy-3-methoxy-N-(2-methoxyphenyl)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2-carboxamide
CID 134141654
1-[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]ethanone
CID 59078697
(1S,2S,4aR,10aS)-1,7-bis(hydroxymethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
CID 102586337
(1R)-4a,6-dimethylspiro[2,3,4,9,10,10a-hexahydrophenanthrene-1,3'-aziridine]-2'-one
CID 153362630
(4bS,7S,8aR)-7-hydroxy-3-methoxy-4b,8,8-trimethyl-N-prop-2-ynyl-5,6,7,8a,9,10-hexahydrophenanthrene-2-carboxamide
CID 127041981
(1R,2S,4aS,10aR)-1-(hydroxymethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
CID 3007308

Frequently Asked Questions

What is the IUPAC name of (2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol?
The IUPAC name of (2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol (CID 135067648) is (2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol.
What is the SMILES notation for (2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol?
The canonical SMILES for (2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol is Cc1ccc2c(c1)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C.
What is the InChIKey of (2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol?
The InChIKey is YAKXDJHTDDCDEH-XYJFISCASA-N. The full InChI is InChI=1S/C18H26O/c1-12-5-7-14-13(11-12)6-8-15-17(2,3)16(19)9-10-18(14,15)4/h5,7,11,15-16,19H,6,8-10H2,1-4H3/t15-,16-,18+/m0/s1.
What are the key properties of (2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol?
(2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol has a molecular weight of 258.40 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol is sourced from PubChem (CID 135067648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).