(4-methylphenyl)-[4-(oxolan-2-ylmethyl)cyclohexyl]methanone

C19H26O2 — CID 144801748

IUPAC(4-methylphenyl)-[4-(oxolan-2-ylmethyl)cyclohexyl]methanone
SMILESCc1ccc(C(=O)C2CCC(CC3CCCO3)CC2)cc1
InChIInChI=1S/C19H26O2/c1-14-4-8-16(9-5-14)19(20)17-10-6-15(7-11-17)13-18-3-2-12-21-18/h4-5,8-9,15,17-18H,2-3,6-7,10-13H2,1H3
InChIKeyWBWOBQCTJQXIGJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.55
Rot. Bonds4

About (4-methylphenyl)-[4-(oxolan-2-ylmethyl)cyclohexyl]methanone

(4-methylphenyl)-[4-(oxolan-2-ylmethyl)cyclohexyl]methanone (PubChem CID 144801748) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (4-methylphenyl)-[4-(oxolan-2-ylmethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-(oxolan-2-ylmethyl)cyclohexyl]methanone
PubChem CID144801748
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(4-methylphenyl)-[4-(oxolan-2-ylmethyl)cyclohexyl]methanone
SMILESCc1ccc(C(=O)C2CCC(CC3CCCO3)CC2)cc1
InChIInChI=1S/C19H26O2/c1-14-4-8-16(9-5-14)19(20)17-10-6-15(7-11-17)13-18-3-2-12-21-18/h4-5,8-9,15,17-18H,2-3,6-7,10-13H2,1H3
InChIKeyWBWOBQCTJQXIGJ-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 57067840
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CID 106495051
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CID 144956572
(3-aminocyclopentyl)-(4-methylphenyl)methanone
CID 116587095
1-(4-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)propan-1-one
CID 106497062
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 65163508
(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950826
N-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 42861675
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 113198023
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CID 108943682

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-(oxolan-2-ylmethyl)cyclohexyl]methanone?
The IUPAC name of (4-methylphenyl)-[4-(oxolan-2-ylmethyl)cyclohexyl]methanone (CID 144801748) is (4-methylphenyl)-[4-(oxolan-2-ylmethyl)cyclohexyl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-(oxolan-2-ylmethyl)cyclohexyl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-(oxolan-2-ylmethyl)cyclohexyl]methanone is Cc1ccc(C(=O)C2CCC(CC3CCCO3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-(oxolan-2-ylmethyl)cyclohexyl]methanone?
The InChIKey is WBWOBQCTJQXIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-14-4-8-16(9-5-14)19(20)17-10-6-15(7-11-17)13-18-3-2-12-21-18/h4-5,8-9,15,17-18H,2-3,6-7,10-13H2,1H3.
What are the key properties of (4-methylphenyl)-[4-(oxolan-2-ylmethyl)cyclohexyl]methanone?
(4-methylphenyl)-[4-(oxolan-2-ylmethyl)cyclohexyl]methanone has a molecular weight of 286.42 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-(oxolan-2-ylmethyl)cyclohexyl]methanone is sourced from PubChem (CID 144801748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).