(1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol

C16H18O2 — CID 113305846

IUPAC(1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol
SMILESCOc1cc2c(c3ccccc13)C(C)CC[C@@H]2O
InChIInChI=1S/C16H18O2/c1-10-7-8-14(17)13-9-15(18-2)11-5-3-4-6-12(11)16(10)13/h3-6,9-10,14,17H,7-8H2,1-2H3/t10?,14-/m0/s1
InChIKeyNHFBIPIHBLNPET-SBNLOKMTSA-N
MW242.32 g/mol
LogP3.78
Rot. Bonds1

About (1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol

(1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol (PubChem CID 113305846) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol.

Molecular Properties

Compound Name(1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol
PubChem CID113305846
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name(1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol
SMILESCOc1cc2c(c3ccccc13)C(C)CC[C@@H]2O
InChIInChI=1S/C16H18O2/c1-10-7-8-14(17)13-9-15(18-2)11-5-3-4-6-12(11)16(10)13/h3-6,9-10,14,17H,7-8H2,1-2H3/t10?,14-/m0/s1
InChIKeyNHFBIPIHBLNPET-SBNLOKMTSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one
CID 115417405
(1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417809
(1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene
CID 15568466
(1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine
CID 113305819
3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 163922079
(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417791
2,4-dimethoxynaphthalen-1-ol
CID 12563547
5-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride
CID 164929792
(1S,4S)-6,7-dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,8-diol
CID 7055332
4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol
CID 53392135
3-chloro-5-methoxy-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene
CID 79837495
5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 130137804

Frequently Asked Questions

What is the IUPAC name of (1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol?
The IUPAC name of (1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol (CID 113305846) is (1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol.
What is the SMILES notation for (1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol?
The canonical SMILES for (1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol is COc1cc2c(c3ccccc13)C(C)CC[C@@H]2O.
What is the InChIKey of (1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol?
The InChIKey is NHFBIPIHBLNPET-SBNLOKMTSA-N. The full InChI is InChI=1S/C16H18O2/c1-10-7-8-14(17)13-9-15(18-2)11-5-3-4-6-12(11)16(10)13/h3-6,9-10,14,17H,7-8H2,1-2H3/t10?,14-/m0/s1.
What are the key properties of (1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol?
(1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol has a molecular weight of 242.32 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol is sourced from PubChem (CID 113305846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).