3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol

C14H20O3 — CID 79335246

IUPAC3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol
SMILESCCCOc1cc(C=C(C)CO)ccc1OC
InChIInChI=1S/C14H20O3/c1-4-7-17-14-9-12(8-11(2)10-15)5-6-13(14)16-3/h5-6,8-9,15H,4,7,10H2,1-3H3
InChIKeyXCVKJQNYOBFNCW-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.88
Rot. Bonds6

About 3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol

3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol (PubChem CID 79335246) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol
PubChem CID79335246
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol
SMILESCCCOc1cc(C=C(C)CO)ccc1OC
InChIInChI=1S/C14H20O3/c1-4-7-17-14-9-12(8-11(2)10-15)5-6-13(14)16-3/h5-6,8-9,15H,4,7,10H2,1-3H3
InChIKeyXCVKJQNYOBFNCW-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335593
2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol
CID 79334289
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-enoic acid
CID 79726677
N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine
CID 79341427
4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene
CID 22970780
(Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093109
3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334099
4-[2-(chloromethyl)-3-methylbut-1-enyl]-1-methoxy-2-propoxybenzene
CID 79334021
(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 20534154
3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334564
2-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methylbutanal
CID 79335181
4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene
CID 79323774

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of 3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol (CID 79335246) is 3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol is CCCOc1cc(C=C(C)CO)ccc1OC.
What is the InChIKey of 3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol?
The InChIKey is XCVKJQNYOBFNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-7-17-14-9-12(8-11(2)10-15)5-6-13(14)16-3/h5-6,8-9,15H,4,7,10H2,1-3H3.
What are the key properties of 3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol?
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 79335246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).