(1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone

C18H26O2 — CID 103450378

IUPAC(1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1cccc(C(=O)C2(O)CCCCCC2)c1
InChIInChI=1S/C18H26O2/c1-14(2)12-15-8-7-9-16(13-15)17(19)18(20)10-5-3-4-6-11-18/h7-9,13-14,20H,3-6,10-12H2,1-2H3
InChIKeyXOBACTIJWJERRP-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.15
Rot. Bonds4

About (1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone

(1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone (PubChem CID 103450378) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone
PubChem CID103450378
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1cccc(C(=O)C2(O)CCCCCC2)c1
InChIInChI=1S/C18H26O2/c1-14(2)12-15-8-7-9-16(13-15)17(19)18(20)10-5-3-4-6-11-18/h7-9,13-14,20H,3-6,10-12H2,1-2H3
InChIKeyXOBACTIJWJERRP-UHFFFAOYSA-N
XLogP4.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
(3-ethylpyrrolidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone
CID 116570462
(3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone
CID 116568738
3-(2-methylpropyl)benzamide
CID 23130390
1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol
CID 103451727
N,3-bis(2-methylpropyl)benzamide
CID 176945198
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
[3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone
CID 116547715
fluoro 3-(2-methylpropyl)benzoate
CID 176661814
hydrazine;(1-hydroxycyclohexyl)-phenylmethanone
CID 161340998
[3-(2-methylpropyl)phenyl]-(thian-2-yl)methanone
CID 116543418
(E)-1-[3-(2-methylpropyl)phenyl]but-2-en-1-one
CID 103453516

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone (CID 103450378) is (1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone is CC(C)Cc1cccc(C(=O)C2(O)CCCCCC2)c1.
What is the InChIKey of (1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone?
The InChIKey is XOBACTIJWJERRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-14(2)12-15-8-7-9-16(13-15)17(19)18(20)10-5-3-4-6-11-18/h7-9,13-14,20H,3-6,10-12H2,1-2H3.
What are the key properties of (1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone?
(1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone has a molecular weight of 274.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 103450378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).