[6,6-dimethyl-3-(2-methylpentan-2-yl)benzo[c]chromen-9-yl]methanol

C22H28O2 — CID 10687450

IUPAC[6,6-dimethyl-3-(2-methylpentan-2-yl)benzo[c]chromen-9-yl]methanol
SMILESCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(CO)cc1-2
InChIInChI=1S/C22H28O2/c1-6-11-21(2,3)16-8-9-17-18-12-15(14-23)7-10-19(18)22(4,5)24-20(17)13-16/h7-10,12-13,23H,6,11,14H2,1-5H3
InChIKeyWOUGNVGXCUXHJS-UHFFFAOYSA-N
MW324.46 g/mol
LogP5.55
Rot. Bonds4

About [6,6-dimethyl-3-(2-methylpentan-2-yl)benzo[c]chromen-9-yl]methanol

[6,6-dimethyl-3-(2-methylpentan-2-yl)benzo[c]chromen-9-yl]methanol (PubChem CID 10687450) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is [6,6-dimethyl-3-(2-methylpentan-2-yl)benzo[c]chromen-9-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-3-(2-methylpentan-2-yl)benzo[c]chromen-9-yl]methanol
PubChem CID10687450
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Name[6,6-dimethyl-3-(2-methylpentan-2-yl)benzo[c]chromen-9-yl]methanol
SMILESCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(CO)cc1-2
InChIInChI=1S/C22H28O2/c1-6-11-21(2,3)16-8-9-17-18-12-15(14-23)7-10-19(18)22(4,5)24-20(17)13-16/h7-10,12-13,23H,6,11,14H2,1-5H3
InChIKeyWOUGNVGXCUXHJS-UHFFFAOYSA-N
XLogP5.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [6,6-dimethyl-3-(2-methylpentan-2-yl)benzo[c]chromen-9-yl]methanol 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 [6,6-dimethyl-3-(2-methylpentan-2-yl)benzo[c]chromen-9-yl]methanol?
The IUPAC name of [6,6-dimethyl-3-(2-methylpentan-2-yl)benzo[c]chromen-9-yl]methanol (CID 10687450) is [6,6-dimethyl-3-(2-methylpentan-2-yl)benzo[c]chromen-9-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-3-(2-methylpentan-2-yl)benzo[c]chromen-9-yl]methanol?
The canonical SMILES for [6,6-dimethyl-3-(2-methylpentan-2-yl)benzo[c]chromen-9-yl]methanol is CCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(CO)cc1-2.
What is the InChIKey of [6,6-dimethyl-3-(2-methylpentan-2-yl)benzo[c]chromen-9-yl]methanol?
The InChIKey is WOUGNVGXCUXHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2/c1-6-11-21(2,3)16-8-9-17-18-12-15(14-23)7-10-19(18)22(4,5)24-20(17)13-16/h7-10,12-13,23H,6,11,14H2,1-5H3.
What are the key properties of [6,6-dimethyl-3-(2-methylpentan-2-yl)benzo[c]chromen-9-yl]methanol?
[6,6-dimethyl-3-(2-methylpentan-2-yl)benzo[c]chromen-9-yl]methanol has a molecular weight of 324.46 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-3-(2-methylpentan-2-yl)benzo[c]chromen-9-yl]methanol is sourced from PubChem (CID 10687450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).