(1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone

C15H20O3 — CID 103449621

IUPAC(1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)C1(O)CCCCC1
InChIInChI=1S/C15H20O3/c1-11-6-7-13(18-2)12(10-11)14(16)15(17)8-4-3-5-9-15/h6-7,10,17H,3-5,8-9H2,1-2H3
InChIKeyOMDLITZGDKRUKA-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.88
Rot. Bonds3

About (1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone

(1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone (PubChem CID 103449621) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone
PubChem CID103449621
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)C1(O)CCCCC1
InChIInChI=1S/C15H20O3/c1-11-6-7-13(18-2)12(10-11)14(16)15(17)8-4-3-5-9-15/h6-7,10,17H,3-5,8-9H2,1-2H3
InChIKeyOMDLITZGDKRUKA-UHFFFAOYSA-N
XLogP2.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone
CID 103450061
ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone
CID 142095957
(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
[1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone
CID 79062414
(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
CID 116550581
1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80609485
(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066338
1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid
CID 104595293
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone
CID 65210652

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of (1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone (CID 103449621) is (1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for (1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for (1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)C1(O)CCCCC1.
What is the InChIKey of (1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is OMDLITZGDKRUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11-6-7-13(18-2)12(10-11)14(16)15(17)8-4-3-5-9-15/h6-7,10,17H,3-5,8-9H2,1-2H3.
What are the key properties of (1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone?
(1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 248.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 103449621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).