3-[(4-propylphenyl)methyl]phenol

C16H18O — CID 67607655

IUPAC3-[(4-propylphenyl)methyl]phenol
SMILESCCCc1ccc(Cc2cccc(O)c2)cc1
InChIInChI=1S/C16H18O/c1-2-4-13-7-9-14(10-8-13)11-15-5-3-6-16(17)12-15/h3,5-10,12,17H,2,4,11H2,1H3
InChIKeyFIULVFQJFLAOJV-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.94
Rot. Bonds4

About 3-[(4-propylphenyl)methyl]phenol

3-[(4-propylphenyl)methyl]phenol (PubChem CID 67607655) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[(4-propylphenyl)methyl]phenol.

Molecular Properties

Compound Name3-[(4-propylphenyl)methyl]phenol
PubChem CID67607655
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name3-[(4-propylphenyl)methyl]phenol
SMILESCCCc1ccc(Cc2cccc(O)c2)cc1
InChIInChI=1S/C16H18O/c1-2-4-13-7-9-14(10-8-13)11-15-5-3-6-16(17)12-15/h3,5-10,12,17H,2,4,11H2,1H3
InChIKeyFIULVFQJFLAOJV-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

phenol;3-propylphenol
CID 66960022
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
phenol;propylbenzene
CID 18469730
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
3-hentriacontylphenol
CID 101292722
1,3-bis[(4-dodecylphenyl)methyl]benzene
CID 58298682
3-octacosylphenol
CID 101292719
3-ethylphenol;4-ethylphenol
CID 70541430
benzene-1,3-diol;4-dodecylphenol
CID 159325714
3-[2-(4-methoxyphenyl)ethyl]phenol
CID 71375357
benzene-1,3-diol;4-nonylphenol
CID 159380657
5-propylbenzene-1,3-diol
CID 3083600

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propylphenyl)methyl]phenol?
The IUPAC name of 3-[(4-propylphenyl)methyl]phenol (CID 67607655) is 3-[(4-propylphenyl)methyl]phenol.
What is the SMILES notation for 3-[(4-propylphenyl)methyl]phenol?
The canonical SMILES for 3-[(4-propylphenyl)methyl]phenol is CCCc1ccc(Cc2cccc(O)c2)cc1.
What is the InChIKey of 3-[(4-propylphenyl)methyl]phenol?
The InChIKey is FIULVFQJFLAOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-2-4-13-7-9-14(10-8-13)11-15-5-3-6-16(17)12-15/h3,5-10,12,17H,2,4,11H2,1H3.
What are the key properties of 3-[(4-propylphenyl)methyl]phenol?
3-[(4-propylphenyl)methyl]phenol has a molecular weight of 226.32 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propylphenyl)methyl]phenol is sourced from PubChem (CID 67607655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).