[3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol

C12H14O2 — CID 135075425

IUPAC[3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol
SMILESCOc1ccc(C2=CC(CO)C2)cc1
InChIInChI=1S/C12H14O2/c1-14-12-4-2-10(3-5-12)11-6-9(7-11)8-13/h2-6,9,13H,7-8H2,1H3
InChIKeyZEXBKXIEFHZMNL-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.09
Rot. Bonds3

About [3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol

[3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol (PubChem CID 135075425) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol
PubChem CID135075425
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name[3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol
SMILESCOc1ccc(C2=CC(CO)C2)cc1
InChIInChI=1S/C12H14O2/c1-14-12-4-2-10(3-5-12)11-6-9(7-11)8-13/h2-6,9,13H,7-8H2,1H3
InChIKeyZEXBKXIEFHZMNL-UHFFFAOYSA-N
XLogP2.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2,5-dimethoxyphenyl)cyclobut-2-en-1-yl]methanol
CID 102520216
6-tert-butyl-3-(4-methoxyphenyl)bicyclo[3.1.0]hex-2-ene
CID 153307030
[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11310285
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11041952
5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine
CID 175741728
1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene
CID 78120587
[(1R)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 130347062
1-methoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 3765590
(4-methoxyphenoxy)methanol
CID 20580272
1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
CID 86037545
(4-methoxyphenyl)methanol
CID 7738
(1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid
CID 125490358

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol?
The IUPAC name of [3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol (CID 135075425) is [3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol.
What is the SMILES notation for [3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol?
The canonical SMILES for [3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol is COc1ccc(C2=CC(CO)C2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol?
The InChIKey is ZEXBKXIEFHZMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-14-12-4-2-10(3-5-12)11-6-9(7-11)8-13/h2-6,9,13H,7-8H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol?
[3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol has a molecular weight of 190.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol is sourced from PubChem (CID 135075425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).