(6-methyl-2H-chromen-3-yl)methanol

C11H12O2 — CID 103351449

IUPAC(6-methyl-2H-chromen-3-yl)methanol
SMILESCc1ccc2c(c1)C=C(CO)CO2
InChIInChI=1S/C11H12O2/c1-8-2-3-11-10(4-8)5-9(6-12)7-13-11/h2-5,12H,6-7H2,1H3
InChIKeyDLSUNHSORMHCJV-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.76
Rot. Bonds1

About (6-methyl-2H-chromen-3-yl)methanol

(6-methyl-2H-chromen-3-yl)methanol (PubChem CID 103351449) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (6-methyl-2H-chromen-3-yl)methanol.

Molecular Properties

Compound Name(6-methyl-2H-chromen-3-yl)methanol
PubChem CID103351449
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name(6-methyl-2H-chromen-3-yl)methanol
SMILESCc1ccc2c(c1)C=C(CO)CO2
InChIInChI=1S/C11H12O2/c1-8-2-3-11-10(4-8)5-9(6-12)7-13-11/h2-5,12H,6-7H2,1H3
InChIKeyDLSUNHSORMHCJV-UHFFFAOYSA-N
XLogP1.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine
CID 115615997
1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride
CID 115616011
[2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol
CID 110922653
3,7-bis(hydroxymethyl)-2H-1-benzoxepin-5-one
CID 101417393
N-[(6-chloro-2H-chromen-3-yl)methyl]propan-1-amine
CID 115605423
methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate
CID 139932854
6-ethyl-3-methyl-2H-chromene
CID 143482553
3-[(6-bromo-2H-chromen-3-yl)methylamino]-4-methylpentan-1-ol
CID 111469167
1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol
CID 110922595
3-[(6-chloro-2H-chromen-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 111824912
3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol
CID 143310074
2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol
CID 111421748

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2H-chromen-3-yl)methanol?
The IUPAC name of (6-methyl-2H-chromen-3-yl)methanol (CID 103351449) is (6-methyl-2H-chromen-3-yl)methanol.
What is the SMILES notation for (6-methyl-2H-chromen-3-yl)methanol?
The canonical SMILES for (6-methyl-2H-chromen-3-yl)methanol is Cc1ccc2c(c1)C=C(CO)CO2.
What is the InChIKey of (6-methyl-2H-chromen-3-yl)methanol?
The InChIKey is DLSUNHSORMHCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-8-2-3-11-10(4-8)5-9(6-12)7-13-11/h2-5,12H,6-7H2,1H3.
What are the key properties of (6-methyl-2H-chromen-3-yl)methanol?
(6-methyl-2H-chromen-3-yl)methanol has a molecular weight of 176.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2H-chromen-3-yl)methanol is sourced from PubChem (CID 103351449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).