4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-2-ol

C15H20O — CID 5216651

IUPAC4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-2-ol
SMILESCC12CCC(O)CC1CCc1ccccc12
InChIInChI=1S/C15H20O/c1-15-9-8-13(16)10-12(15)7-6-11-4-2-3-5-14(11)15/h2-5,12-13,16H,6-10H2,1H3
InChIKeyMVNJNWNFUCRWBW-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.05
Rot. Bonds

About 4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-2-ol

4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-2-ol (PubChem CID 5216651) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-2-ol.

Molecular Properties

Compound Name4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-2-ol
PubChem CID5216651
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-2-ol
SMILESCC12CCC(O)CC1CCc1ccccc12
InChIInChI=1S/C15H20O/c1-15-9-8-13(16)10-12(15)7-6-11-4-2-3-5-14(11)15/h2-5,12-13,16H,6-10H2,1H3
InChIKeyMVNJNWNFUCRWBW-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-2-ol?
The IUPAC name of 4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-2-ol (CID 5216651) is 4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-2-ol.
What is the SMILES notation for 4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-2-ol?
The canonical SMILES for 4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-2-ol is CC12CCC(O)CC1CCc1ccccc12.
What is the InChIKey of 4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-2-ol?
The InChIKey is MVNJNWNFUCRWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-15-9-8-13(16)10-12(15)7-6-11-4-2-3-5-14(11)15/h2-5,12-13,16H,6-10H2,1H3.
What are the key properties of 4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-2-ol?
4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-2-ol has a molecular weight of 216.32 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-2-ol is sourced from PubChem (CID 5216651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).