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

C15H16O — CID 79014499

IUPAC(1S)-9-methyl-1,2,3,4-tetrahydrophenanthren-1-ol
SMILESCc1cc2c(c3ccccc13)CCC[C@@H]2O
InChIInChI=1S/C15H16O/c1-10-9-14-13(7-4-8-15(14)16)12-6-3-2-5-11(10)12/h2-3,5-6,9,15-16H,4,7-8H2,1H3/t15-/m0/s1
InChIKeyQTAWZEHQVXKQIL-HNNXBMFYSA-N
MW212.29 g/mol
LogP3.52
Rot. Bonds

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

(1S)-9-methyl-1,2,3,4-tetrahydrophenanthren-1-ol (PubChem CID 79014499) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (1S)-9-methyl-1,2,3,4-tetrahydrophenanthren-1-ol.

Molecular Properties

Compound Name(1S)-9-methyl-1,2,3,4-tetrahydrophenanthren-1-ol
PubChem CID79014499
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(1S)-9-methyl-1,2,3,4-tetrahydrophenanthren-1-ol
SMILESCc1cc2c(c3ccccc13)CCC[C@@H]2O
InChIInChI=1S/C15H16O/c1-10-9-14-13(7-4-8-15(14)16)12-6-3-2-5-11(10)12/h2-3,5-6,9,15-16H,4,7-8H2,1H3/t15-/m0/s1
InChIKeyQTAWZEHQVXKQIL-HNNXBMFYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-9-methyl-1,2,3,4-tetrahydrophenanthren-1-ol?
The IUPAC name of (1S)-9-methyl-1,2,3,4-tetrahydrophenanthren-1-ol (CID 79014499) is (1S)-9-methyl-1,2,3,4-tetrahydrophenanthren-1-ol.
What is the SMILES notation for (1S)-9-methyl-1,2,3,4-tetrahydrophenanthren-1-ol?
The canonical SMILES for (1S)-9-methyl-1,2,3,4-tetrahydrophenanthren-1-ol is Cc1cc2c(c3ccccc13)CCC[C@@H]2O.
What is the InChIKey of (1S)-9-methyl-1,2,3,4-tetrahydrophenanthren-1-ol?
The InChIKey is QTAWZEHQVXKQIL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16O/c1-10-9-14-13(7-4-8-15(14)16)12-6-3-2-5-11(10)12/h2-3,5-6,9,15-16H,4,7-8H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-9-methyl-1,2,3,4-tetrahydrophenanthren-1-ol?
(1S)-9-methyl-1,2,3,4-tetrahydrophenanthren-1-ol has a molecular weight of 212.29 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-9-methyl-1,2,3,4-tetrahydrophenanthren-1-ol is sourced from PubChem (CID 79014499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).