(2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol

C14H19ClO3 — CID 61083158

IUPAC(2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol
SMILESCCOc1cc(Cl)c(C(O)C2CC2)cc1OCC
InChIInChI=1S/C14H19ClO3/c1-3-17-12-7-10(14(16)9-5-6-9)11(15)8-13(12)18-4-2/h7-9,14,16H,3-6H2,1-2H3
InChIKeyVNJWCLDYSFTQSC-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.58
Rot. Bonds6

About (2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol

(2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol (PubChem CID 61083158) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is (2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol.

Molecular Properties

Compound Name(2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol
PubChem CID61083158
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name(2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol
SMILESCCOc1cc(Cl)c(C(O)C2CC2)cc1OCC
InChIInChI=1S/C14H19ClO3/c1-3-17-12-7-10(14(16)9-5-6-9)11(15)8-13(12)18-4-2/h7-9,14,16H,3-6H2,1-2H3
InChIKeyVNJWCLDYSFTQSC-UHFFFAOYSA-N
XLogP3.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene
CID 63444637
1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol
CID 82268035
(2-ethoxyphenyl)-(4-methylcyclohexyl)methanol
CID 62801891
cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol
CID 82049139
(2-chloro-4-methylphenyl)-cyclopropylmethanol
CID 58392529
(2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol
CID 114822297
(2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107000928
2-[bromo-(2-chloro-4,5-diethoxyphenyl)methyl]-5-methyloxolane
CID 81329757
(2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80644143
3-(2-chloro-4,5-diethoxyphenyl)butanoic acid
CID 83959381
(3,4-diethoxyphenyl)-(oxan-4-yl)methanol
CID 62905165
(5-bromo-2-chlorophenyl)-cyclopropylmethanol
CID 115810196

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol?
The IUPAC name of (2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol (CID 61083158) is (2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol.
What is the SMILES notation for (2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol?
The canonical SMILES for (2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol is CCOc1cc(Cl)c(C(O)C2CC2)cc1OCC.
What is the InChIKey of (2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol?
The InChIKey is VNJWCLDYSFTQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-3-17-12-7-10(14(16)9-5-6-9)11(15)8-13(12)18-4-2/h7-9,14,16H,3-6H2,1-2H3.
What are the key properties of (2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol?
(2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol has a molecular weight of 270.76 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol is sourced from PubChem (CID 61083158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).