2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol

C14H19ClO3 — CID 79335570

IUPAC2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol
SMILESCOc1cc(C=C(CO)C(C)C)cc(Cl)c1OC
InChIInChI=1S/C14H19ClO3/c1-9(2)11(8-16)5-10-6-12(15)14(18-4)13(7-10)17-3/h5-7,9,16H,8H2,1-4H3
InChIKeyBQRYPIQSADGVLH-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.39
Rot. Bonds5

About 2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol

2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol (PubChem CID 79335570) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol
PubChem CID79335570
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol
SMILESCOc1cc(C=C(CO)C(C)C)cc(Cl)c1OC
InChIInChI=1S/C14H19ClO3/c1-9(2)11(8-16)5-10-6-12(15)14(18-4)13(7-10)17-3/h5-7,9,16H,8H2,1-4H3
InChIKeyBQRYPIQSADGVLH-UHFFFAOYSA-N
XLogP3.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 103093259
3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79341614
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-methylprop-2-enoic acid
CID 170873206
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol
CID 79335808
(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate
CID 2414116
(Z)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoic acid
CID 2414113
N-[4-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-2-methylpropanamide
CID 26679759
ethyl (Z)-3-(3-chloro-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoate
CID 74766485
3-chloro-4-(2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 60887072
(Z)-3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid
CID 112720011
2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N,N-di(propan-2-yl)acetamide
CID 7702937
2-[(4-chlorophenyl)methylidene]-3-methylbutan-1-ol
CID 68707841

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol?
The IUPAC name of 2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol (CID 79335570) is 2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol is COc1cc(C=C(CO)C(C)C)cc(Cl)c1OC.
What is the InChIKey of 2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol?
The InChIKey is BQRYPIQSADGVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-9(2)11(8-16)5-10-6-12(15)14(18-4)13(7-10)17-3/h5-7,9,16H,8H2,1-4H3.
What are the key properties of 2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol?
2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol has a molecular weight of 270.76 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol is sourced from PubChem (CID 79335570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).