(4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone

C14H18O4 — CID 116921139

IUPAC(4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
SMILESCOc1cc(C)c(C(=O)C2(CO)CC2)cc1OC
InChIInChI=1S/C14H18O4/c1-9-6-11(17-2)12(18-3)7-10(9)13(16)14(8-15)4-5-14/h6-7,15H,4-5,8H2,1-3H3
InChIKeyPCWRGCZKVFFFSK-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.97
Rot. Bonds5

About (4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone

(4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone (PubChem CID 116921139) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
PubChem CID116921139
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
SMILESCOc1cc(C)c(C(=O)C2(CO)CC2)cc1OC
InChIInChI=1S/C14H18O4/c1-9-6-11(17-2)12(18-3)7-10(9)13(16)14(8-15)4-5-14/h6-7,15H,4-5,8H2,1-3H3
InChIKeyPCWRGCZKVFFFSK-UHFFFAOYSA-N
XLogP1.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 116924321
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921076
1-(4,5-dimethoxy-2-methylbenzoyl)cyclopropane-1-carbonitrile
CID 116920860
[1-(aminomethyl)cyclohexyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116600667
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921918
1-(4,5-dimethoxy-2-methylphenyl)-4-hydroxybutan-1-one
CID 98015233
[4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116603132
(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921922
4,5-dimethoxy-2-methylbenzoyl bromide
CID 116924582
2-bromo-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 15643655
3-(4,5-dimethoxy-2-methylbenzoyl)oxetane-3-carbonitrile
CID 116922287
(1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 104610261

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone (CID 116921139) is (4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone is COc1cc(C)c(C(=O)C2(CO)CC2)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone?
The InChIKey is PCWRGCZKVFFFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-9-6-11(17-2)12(18-3)7-10(9)13(16)14(8-15)4-5-14/h6-7,15H,4-5,8H2,1-3H3.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone?
(4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone has a molecular weight of 250.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone is sourced from PubChem (CID 116921139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).