(Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol

C13H18O2 — CID 103091036

IUPAC(Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol
SMILESCOCc1ccc(/C=C(/C)C(C)O)cc1
InChIInChI=1S/C13H18O2/c1-10(11(2)14)8-12-4-6-13(7-5-12)9-15-3/h4-8,11,14H,9H2,1-3H3/b10-8-
InChIKeyALLGINKOPTVITB-NTMALXAHSA-N
MW206.28 g/mol
LogP2.62
Rot. Bonds4

About (Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol

(Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol (PubChem CID 103091036) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol
PubChem CID103091036
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol
SMILESCOCc1ccc(/C=C(/C)C(C)O)cc1
InChIInChI=1S/C13H18O2/c1-10(11(2)14)8-12-4-6-13(7-5-12)9-15-3/h4-8,11,14H,9H2,1-3H3/b10-8-
InChIKeyALLGINKOPTVITB-NTMALXAHSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Phenylethanol
CID 7409
Cuminol
CID 325
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
4-Methylbenzyl alcohol
CID 11505
1-Phenyl-1,2-ethanediol
CID 7149
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
1-Phenylethanol, (S)-
CID 443135
1-Phenylethanol, (R)-
CID 637516
2-(Benzyloxy) ethanol
CID 12141
Benzyl butyl ether
CID 61134
Benzyl methyl ether
CID 10869

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol?
The IUPAC name of (Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol (CID 103091036) is (Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol.
What is the SMILES notation for (Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol?
The canonical SMILES for (Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol is COCc1ccc(/C=C(/C)C(C)O)cc1.
What is the InChIKey of (Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol?
The InChIKey is ALLGINKOPTVITB-NTMALXAHSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(11(2)14)8-12-4-6-13(7-5-12)9-15-3/h4-8,11,14H,9H2,1-3H3/b10-8-.
What are the key properties of (Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol?
(Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol has a molecular weight of 206.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol is sourced from PubChem (CID 103091036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).