(4-propan-2-yl-3-prop-2-enylphenyl)methanol

C13H18O — CID 118407967

IUPAC(4-propan-2-yl-3-prop-2-enylphenyl)methanol
SMILESC=CCc1cc(CO)ccc1C(C)C
InChIInChI=1S/C13H18O/c1-4-5-12-8-11(9-14)6-7-13(12)10(2)3/h4,6-8,10,14H,1,5,9H2,2-3H3
InChIKeyUEWFBTHXXWDOMW-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.03
Rot. Bonds4

About (4-propan-2-yl-3-prop-2-enylphenyl)methanol

(4-propan-2-yl-3-prop-2-enylphenyl)methanol (PubChem CID 118407967) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (4-propan-2-yl-3-prop-2-enylphenyl)methanol.

Molecular Properties

Compound Name(4-propan-2-yl-3-prop-2-enylphenyl)methanol
PubChem CID118407967
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(4-propan-2-yl-3-prop-2-enylphenyl)methanol
SMILESC=CCc1cc(CO)ccc1C(C)C
InChIInChI=1S/C13H18O/c1-4-5-12-8-11(9-14)6-7-13(12)10(2)3/h4,6-8,10,14H,1,5,9H2,2-3H3
InChIKeyUEWFBTHXXWDOMW-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(hydroxymethyl)-2-propan-2-ylphenol
CID 14002478
4-(hydroxymethyl)-2,6-bis(prop-2-enyl)phenol
CID 67498252
(4-methyl-3-propan-2-ylphenyl)methanol
CID 20871908
[3-propan-2-yl-4-(sulfanylmethyl)phenyl]methanol
CID 176584339
2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene
CID 169493054
2-butan-2-yl-4-prop-2-enylphenol
CID 155933594
methyl 4-(hydroxymethyl)-2-propan-2-ylbenzoate
CID 171784166
2-propan-2-ylphenol;prop-2-enylbenzene
CID 175237789
1-(2-prop-2-enylphenyl)ethanol
CID 10749513
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol
CID 115969368
[2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol
CID 14096565
(3-propan-2-yl-1-benzofuran-6-yl)methanol
CID 163817629

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-3-prop-2-enylphenyl)methanol?
The IUPAC name of (4-propan-2-yl-3-prop-2-enylphenyl)methanol (CID 118407967) is (4-propan-2-yl-3-prop-2-enylphenyl)methanol.
What is the SMILES notation for (4-propan-2-yl-3-prop-2-enylphenyl)methanol?
The canonical SMILES for (4-propan-2-yl-3-prop-2-enylphenyl)methanol is C=CCc1cc(CO)ccc1C(C)C.
What is the InChIKey of (4-propan-2-yl-3-prop-2-enylphenyl)methanol?
The InChIKey is UEWFBTHXXWDOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-4-5-12-8-11(9-14)6-7-13(12)10(2)3/h4,6-8,10,14H,1,5,9H2,2-3H3.
What are the key properties of (4-propan-2-yl-3-prop-2-enylphenyl)methanol?
(4-propan-2-yl-3-prop-2-enylphenyl)methanol has a molecular weight of 190.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-3-prop-2-enylphenyl)methanol is sourced from PubChem (CID 118407967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).