1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol

C14H20O3 — CID 66044092

IUPAC1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H20O3/c1-5-10(2)8-12(15)11-6-7-13(16-3)14(9-11)17-4/h6-7,9,12,15H,2,5,8H2,1,3-4H3
InChIKeyLWSCTQTYLWRYOY-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.09
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol

1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol (PubChem CID 66044092) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol
PubChem CID66044092
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H20O3/c1-5-10(2)8-12(15)11-6-7-13(16-3)14(9-11)17-4/h6-7,9,12,15H,2,5,8H2,1,3-4H3
InChIKeyLWSCTQTYLWRYOY-UHFFFAOYSA-N
XLogP3.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817551
1-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817518
1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-amine
CID 66046502
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
1-(3,5-dimethoxyphenyl)-3-methylidenepentan-1-ol
CID 115817579
(1S)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
CID 92978371
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol (CID 66044092) is 1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol is C=C(CC)CC(O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol?
The InChIKey is LWSCTQTYLWRYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-10(2)8-12(15)11-6-7-13(16-3)14(9-11)17-4/h6-7,9,12,15H,2,5,8H2,1,3-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol?
1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol is sourced from PubChem (CID 66044092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).