(1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone

C15H20O3 — CID 103450061

IUPAC(1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1(O)CCCCCC1
InChIInChI=1S/C15H20O3/c1-18-13-9-5-4-8-12(13)14(16)15(17)10-6-2-3-7-11-15/h4-5,8-9,17H,2-3,6-7,10-11H2,1H3
InChIKeyMUDDJJRHZADCMK-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.96
Rot. Bonds3

About (1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone

(1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone (PubChem CID 103450061) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone
PubChem CID103450061
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1(O)CCCCCC1
InChIInChI=1S/C15H20O3/c1-18-13-9-5-4-8-12(13)14(16)15(17)10-6-2-3-7-11-15/h4-5,8-9,17H,2-3,6-7,10-11H2,1H3
InChIKeyMUDDJJRHZADCMK-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone
CID 103449621
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanone
CID 63410127
(1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone
CID 22019782
3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide
CID 10385185
(2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567724
(2-methoxyphenyl)-(1-morpholin-4-ylcyclopentyl)methanone
CID 79059290
(1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone
CID 175275653
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609851
(2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone
CID 158895030
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone?
The IUPAC name of (1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone (CID 103450061) is (1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)C1(O)CCCCCC1.
What is the InChIKey of (1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone?
The InChIKey is MUDDJJRHZADCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-18-13-9-5-4-8-12(13)14(16)15(17)10-6-2-3-7-11-15/h4-5,8-9,17H,2-3,6-7,10-11H2,1H3.
What are the key properties of (1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone?
(1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone has a molecular weight of 248.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 103450061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).