(3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone

C14H18O2 — CID 103447660

IUPAC(3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone
SMILESCc1ccc(C(=O)C2(O)CCCC2)cc1C
InChIInChI=1S/C14H18O2/c1-10-5-6-12(9-11(10)2)13(15)14(16)7-3-4-8-14/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyDEEVMJDNXQGJGK-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.79
Rot. Bonds2

About (3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone

(3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone (PubChem CID 103447660) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone
PubChem CID103447660
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone
SMILESCc1ccc(C(=O)C2(O)CCCC2)cc1C
InChIInChI=1S/C14H18O2/c1-10-5-6-12(9-11(10)2)13(15)14(16)7-3-4-8-14/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyDEEVMJDNXQGJGK-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone
CID 175084066
(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone
CID 20523462
2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447700
(2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447852
(4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone
CID 116604621
[1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone
CID 116611727
(1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone
CID 103450168
hydrazine;(1-hydroxycyclohexyl)-phenylmethanone
CID 161340998
1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]prop-2-en-1-one
CID 59017569
2-[2-[2-[(1S,2R)-2-(3,4-dimethylbenzoyl)-2-hydroxycyclohexanecarbonyl]oxyethoxy]ethoxy]ethyl 2-(3,4-dimethylbenzoyl)-2-hydroxycyclohexane-1-carboxylate
CID 68594977
(3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone
CID 107559882

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone (CID 103447660) is (3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone is Cc1ccc(C(=O)C2(O)CCCC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone?
The InChIKey is DEEVMJDNXQGJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10-5-6-12(9-11(10)2)13(15)14(16)7-3-4-8-14/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone?
(3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone has a molecular weight of 218.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone is sourced from PubChem (CID 103447660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).