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

C25H34O2 — CID 10546891

IUPAC[6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-9-yl]methanol
SMILESCCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(CO)cc1-2
InChIInChI=1S/C25H34O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-13,15-16,26H,6-9,14,17H2,1-5H3
InChIKeyCFQBPYBPMFYBLY-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.72
Rot. Bonds7

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

[6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-9-yl]methanol (PubChem CID 10546891) has the molecular formula C25H34O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is [6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-9-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-9-yl]methanol
PubChem CID10546891
Molecular FormulaC25H34O2
Molecular Weight366.55 g/mol
Exact Mass366.26
IUPAC Name[6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-9-yl]methanol
SMILESCCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(CO)cc1-2
InChIInChI=1S/C25H34O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-13,15-16,26H,6-9,14,17H2,1-5H3
InChIKeyCFQBPYBPMFYBLY-UHFFFAOYSA-N
XLogP6.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-9-yl]methanol?
The IUPAC name of [6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-9-yl]methanol (CID 10546891) is [6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-9-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-9-yl]methanol?
The canonical SMILES for [6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-9-yl]methanol is CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(CO)cc1-2.
What is the InChIKey of [6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-9-yl]methanol?
The InChIKey is CFQBPYBPMFYBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-13,15-16,26H,6-9,14,17H2,1-5H3.
What are the key properties of [6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-9-yl]methanol?
[6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-9-yl]methanol has a molecular weight of 366.55 g/mol, XLogP of 6.72, 7 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-methyloctan-2-yl)benzo[c]chromen-9-yl]methanol is sourced from PubChem (CID 10546891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).