4a,6,6a,7,8,9,11a,11b-octahydrocyclohepta[c]chromen-10-ol

C14H18O2 — CID 70560480

IUPAC4a,6,6a,7,8,9,11a,11b-octahydrocyclohepta[c]chromen-10-ol
SMILESOC1=CC2C(CCC1)COC1C=CC=CC12
InChIInChI=1S/C14H18O2/c15-11-5-3-4-10-9-16-14-7-2-1-6-12(14)13(10)8-11/h1-2,6-8,10,12-15H,3-5,9H2
InChIKeyMGJMNICEQSQAFZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.99
Rot. Bonds

About 4a,6,6a,7,8,9,11a,11b-octahydrocyclohepta[c]chromen-10-ol

4a,6,6a,7,8,9,11a,11b-octahydrocyclohepta[c]chromen-10-ol (PubChem CID 70560480) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4a,6,6a,7,8,9,11a,11b-octahydrocyclohepta[c]chromen-10-ol.

Molecular Properties

Compound Name4a,6,6a,7,8,9,11a,11b-octahydrocyclohepta[c]chromen-10-ol
PubChem CID70560480
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name4a,6,6a,7,8,9,11a,11b-octahydrocyclohepta[c]chromen-10-ol
SMILESOC1=CC2C(CCC1)COC1C=CC=CC12
InChIInChI=1S/C14H18O2/c15-11-5-3-4-10-9-16-14-7-2-1-6-12(14)13(10)8-11/h1-2,6-8,10,12-15H,3-5,9H2
InChIKeyMGJMNICEQSQAFZ-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4a,6,6a,7,8,9,11a,11b-octahydrocyclohepta[c]chromen-10-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4a,6,6a,7,8,9,11a,11b-octahydrocyclohepta[c]chromen-10-ol?
The IUPAC name of 4a,6,6a,7,8,9,11a,11b-octahydrocyclohepta[c]chromen-10-ol (CID 70560480) is 4a,6,6a,7,8,9,11a,11b-octahydrocyclohepta[c]chromen-10-ol.
What is the SMILES notation for 4a,6,6a,7,8,9,11a,11b-octahydrocyclohepta[c]chromen-10-ol?
The canonical SMILES for 4a,6,6a,7,8,9,11a,11b-octahydrocyclohepta[c]chromen-10-ol is OC1=CC2C(CCC1)COC1C=CC=CC12.
What is the InChIKey of 4a,6,6a,7,8,9,11a,11b-octahydrocyclohepta[c]chromen-10-ol?
The InChIKey is MGJMNICEQSQAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-11-5-3-4-10-9-16-14-7-2-1-6-12(14)13(10)8-11/h1-2,6-8,10,12-15H,3-5,9H2.
What are the key properties of 4a,6,6a,7,8,9,11a,11b-octahydrocyclohepta[c]chromen-10-ol?
4a,6,6a,7,8,9,11a,11b-octahydrocyclohepta[c]chromen-10-ol has a molecular weight of 218.30 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,6,6a,7,8,9,11a,11b-octahydrocyclohepta[c]chromen-10-ol is sourced from PubChem (CID 70560480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).