2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol

C16H18O3 — CID 151831322

IUPAC2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol
SMILESCc1cc(CCCO)c(O)c(Oc2ccccc2)c1
InChIInChI=1S/C16H18O3/c1-12-10-13(6-5-9-17)16(18)15(11-12)19-14-7-3-2-4-8-14/h2-4,7-8,10-11,17-18H,5-6,9H2,1H3
InChIKeySESHDPRHIZUMCF-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.42
Rot. Bonds5

About 2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol

2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol (PubChem CID 151831322) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol
PubChem CID151831322
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol
SMILESCc1cc(CCCO)c(O)c(Oc2ccccc2)c1
InChIInChI=1S/C16H18O3/c1-12-10-13(6-5-9-17)16(18)15(11-12)19-14-7-3-2-4-8-14/h2-4,7-8,10-11,17-18H,5-6,9H2,1H3
InChIKeySESHDPRHIZUMCF-UHFFFAOYSA-N
XLogP3.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-(3-hydroxypropyl)-4-methylphenol
CID 117279810
3-heptyl-4-hydroxy-5-phenoxybenzenesulfonic acid
CID 101291720
4-hydroxy-3-phenoxy-5-tridecylbenzenesulfonic acid
CID 101296400
3-(2-phenoxyphenoxy)propan-1-ol
CID 54477263
3-[2-(3,4-difluorophenoxy)phenyl]propan-1-ol
CID 53434345
3-(3-chloro-2,5-dimethylphenyl)propan-1-ol
CID 117288127
ethane-1,2-diol;methanol;phenoxybenzene
CID 174609290
2-(3-hydroxypropyl)naphthalene-1,4-diol
CID 91441568
2-bromo-4-methyl-6-(4-methylphenoxy)phenol
CID 101049595
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652
3-[2,5-bis(phenylmethoxy)phenyl]propan-1-ol
CID 86006432
methyl 2-(5-methyl-2-phenoxyphenyl)acetate
CID 158548362

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol?
The IUPAC name of 2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol (CID 151831322) is 2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol.
What is the SMILES notation for 2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol?
The canonical SMILES for 2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol is Cc1cc(CCCO)c(O)c(Oc2ccccc2)c1.
What is the InChIKey of 2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol?
The InChIKey is SESHDPRHIZUMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-12-10-13(6-5-9-17)16(18)15(11-12)19-14-7-3-2-4-8-14/h2-4,7-8,10-11,17-18H,5-6,9H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol?
2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol has a molecular weight of 258.32 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol is sourced from PubChem (CID 151831322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).