(4bS)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one

C15H16O — CID 139587310

IUPAC(4bS)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one
SMILESC[C@]12CCCCC1=CC=C1C(=O)C=CC=C12
InChIInChI=1S/C15H16O/c1-15-10-3-2-5-11(15)8-9-12-13(15)6-4-7-14(12)16/h4,6-9H,2-3,5,10H2,1H3/t15-/m0/s1
InChIKeyAHCCSFZXRLQQHD-HNNXBMFYSA-N
MW212.29 g/mol
LogP3.50
Rot. Bonds

About (4bS)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one

(4bS)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one (PubChem CID 139587310) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (4bS)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one.

Molecular Properties

Compound Name(4bS)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one
PubChem CID139587310
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(4bS)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one
SMILESC[C@]12CCCCC1=CC=C1C(=O)C=CC=C12
InChIInChI=1S/C15H16O/c1-15-10-3-2-5-11(15)8-9-12-13(15)6-4-7-14(12)16/h4,6-9H,2-3,5,10H2,1H3/t15-/m0/s1
InChIKeyAHCCSFZXRLQQHD-HNNXBMFYSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4bS)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one?
The IUPAC name of (4bS)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one (CID 139587310) is (4bS)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one.
What is the SMILES notation for (4bS)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one?
The canonical SMILES for (4bS)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one is C[C@]12CCCCC1=CC=C1C(=O)C=CC=C12.
What is the InChIKey of (4bS)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one?
The InChIKey is AHCCSFZXRLQQHD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16O/c1-15-10-3-2-5-11(15)8-9-12-13(15)6-4-7-14(12)16/h4,6-9H,2-3,5,10H2,1H3/t15-/m0/s1.
What are the key properties of (4bS)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one?
(4bS)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one has a molecular weight of 212.29 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one is sourced from PubChem (CID 139587310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).