1,1-bis(4-methylphenyl)prop-2-en-1-ol

C17H18O — CID 117063352

IUPAC1,1-bis(4-methylphenyl)prop-2-en-1-ol
SMILESC=CC(O)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H18O/c1-4-17(18,15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h4-12,18H,1H2,2-3H3
InChIKeyQXEVKWLVJMOZFC-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.73
Rot. Bonds3

About 1,1-bis(4-methylphenyl)prop-2-en-1-ol

1,1-bis(4-methylphenyl)prop-2-en-1-ol (PubChem CID 117063352) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1,1-bis(4-methylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1,1-bis(4-methylphenyl)prop-2-en-1-ol
PubChem CID117063352
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1,1-bis(4-methylphenyl)prop-2-en-1-ol
SMILESC=CC(O)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H18O/c1-4-17(18,15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h4-12,18H,1H2,2-3H3
InChIKeyQXEVKWLVJMOZFC-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.73
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

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CID 12982478
1,1-bis(2-methyl-1-benzofuran-5-yl)prop-2-en-1-ol
CID 19261714
1-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-ol
CID 147108243
1-tert-butyl-4-methylbenzene
CID 163486601
methyl 3-hydroxy-3-(4-methylphenyl)hex-5-enedithioate
CID 102498190
2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol
CID 18373849
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
CID 93299009
1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene
CID 145272327
methane;2-methylbuta-1,3-diene;1,4-xylene
CID 145089492
prop-2-enoic acid;1,4-xylene
CID 67822281
3-[2,3-dihydroxy-2-(4-methylphenyl)propoxy]-2-(4-methylphenyl)propane-1,2-diol
CID 139706960

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-methylphenyl)prop-2-en-1-ol?
The IUPAC name of 1,1-bis(4-methylphenyl)prop-2-en-1-ol (CID 117063352) is 1,1-bis(4-methylphenyl)prop-2-en-1-ol.
What is the SMILES notation for 1,1-bis(4-methylphenyl)prop-2-en-1-ol?
The canonical SMILES for 1,1-bis(4-methylphenyl)prop-2-en-1-ol is C=CC(O)(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 1,1-bis(4-methylphenyl)prop-2-en-1-ol?
The InChIKey is QXEVKWLVJMOZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-4-17(18,15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h4-12,18H,1H2,2-3H3.
What are the key properties of 1,1-bis(4-methylphenyl)prop-2-en-1-ol?
1,1-bis(4-methylphenyl)prop-2-en-1-ol has a molecular weight of 238.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-methylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 117063352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).