6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol

C17H24O3 — CID 114715458

IUPAC6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)C(O)CC(C1CCC(C)CC1)O2
InChIInChI=1S/C17H24O3/c1-11-3-5-12(6-4-11)17-10-15(18)14-9-13(19-2)7-8-16(14)20-17/h7-9,11-12,15,17-18H,3-6,10H2,1-2H3
InChIKeyHROMBDJVMWHAEW-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.71
Rot. Bonds2

About 6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol

6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715458) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715458
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)C(O)CC(C1CCC(C)CC1)O2
InChIInChI=1S/C17H24O3/c1-11-3-5-12(6-4-11)17-10-15(18)14-9-13(19-2)7-8-16(14)20-17/h7-9,11-12,15,17-18H,3-6,10H2,1-2H3
InChIKeyHROMBDJVMWHAEW-UHFFFAOYSA-N
XLogP3.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol (CID 114715458) is 6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)C(O)CC(C1CCC(C)CC1)O2.
What is the InChIKey of 6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is HROMBDJVMWHAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-11-3-5-12(6-4-11)17-10-15(18)14-9-13(19-2)7-8-16(14)20-17/h7-9,11-12,15,17-18H,3-6,10H2,1-2H3.
What are the key properties of 6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol?
6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 276.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).