benzene;1-phenylprop-2-en-1-ol

C15H16O — CID 174884403

IUPACbenzene;1-phenylprop-2-en-1-ol
SMILESC=CC(O)c1ccccc1.c1ccccc1
InChIInChI=1S/C9H10O.C6H6/c1-2-9(10)8-6-4-3-5-7-8;1-2-4-6-5-3-1/h2-7,9-10H,1H2;1-6H
InChIKeyPQWJGGAJRAZQKW-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.59
Rot. Bonds2

About benzene;1-phenylprop-2-en-1-ol

benzene;1-phenylprop-2-en-1-ol (PubChem CID 174884403) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is benzene;1-phenylprop-2-en-1-ol.

Molecular Properties

Compound Namebenzene;1-phenylprop-2-en-1-ol
PubChem CID174884403
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Namebenzene;1-phenylprop-2-en-1-ol
SMILESC=CC(O)c1ccccc1.c1ccccc1
InChIInChI=1S/C9H10O.C6H6/c1-2-9(10)8-6-4-3-5-7-8;1-2-4-6-5-3-1/h2-7,9-10H,1H2;1-6H
InChIKeyPQWJGGAJRAZQKW-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.59
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

1,1-diphenylbut-3-en-2-ol
CID 88826241
(Z)-1,4-diphenylbut-2-ene-1,4-diol
CID 12815414
1-(4-methylphenyl)prop-2-en-1-ol
CID 10931590
(1S)-1-(4-bromophenyl)prop-2-en-1-ol
CID 25140431
2-ethenyl-1,3-diphenylpropane-1,3-diol
CID 11821143
[4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate
CID 67678043
(2S)-2-hydroxy-2-phenylacetaldehyde
CID 12536674
benzyl but-3-enoate;1-phenylprop-2-en-1-ol
CID 68773342
1-naphthalen-2-ylprop-2-en-1-ol
CID 10921194
1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol
CID 115527641
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
penta-1,4-dien-3-ylbenzene
CID 15879286

Frequently Asked Questions

What is the IUPAC name of benzene;1-phenylprop-2-en-1-ol?
The IUPAC name of benzene;1-phenylprop-2-en-1-ol (CID 174884403) is benzene;1-phenylprop-2-en-1-ol.
What is the SMILES notation for benzene;1-phenylprop-2-en-1-ol?
The canonical SMILES for benzene;1-phenylprop-2-en-1-ol is C=CC(O)c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;1-phenylprop-2-en-1-ol?
The InChIKey is PQWJGGAJRAZQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C6H6/c1-2-9(10)8-6-4-3-5-7-8;1-2-4-6-5-3-1/h2-7,9-10H,1H2;1-6H.
What are the key properties of benzene;1-phenylprop-2-en-1-ol?
benzene;1-phenylprop-2-en-1-ol has a molecular weight of 212.29 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-phenylprop-2-en-1-ol is sourced from PubChem (CID 174884403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).