[4-[1-(4-chlorophenyl)propoxy]phenyl]methanol

C16H17ClO2 — CID 70488911

IUPAC[4-[1-(4-chlorophenyl)propoxy]phenyl]methanol
SMILESCCC(Oc1ccc(CO)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClO2/c1-2-16(13-5-7-14(17)8-6-13)19-15-9-3-12(11-18)4-10-15/h3-10,16,18H,2,11H2,1H3
InChIKeyQUZZJIXRHYQEJW-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.36
Rot. Bonds5

About [4-[1-(4-chlorophenyl)propoxy]phenyl]methanol

[4-[1-(4-chlorophenyl)propoxy]phenyl]methanol (PubChem CID 70488911) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is [4-[1-(4-chlorophenyl)propoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-(4-chlorophenyl)propoxy]phenyl]methanol
PubChem CID70488911
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name[4-[1-(4-chlorophenyl)propoxy]phenyl]methanol
SMILESCCC(Oc1ccc(CO)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClO2/c1-2-16(13-5-7-14(17)8-6-13)19-15-9-3-12(11-18)4-10-15/h3-10,16,18H,2,11H2,1H3
InChIKeyQUZZJIXRHYQEJW-UHFFFAOYSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine
CID 115492276
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
[4-[(4-chlorophenyl)methyl]phenyl]methanol
CID 22408254
[4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol
CID 118229829
N-[(4-butan-2-yloxyphenyl)methyl]-4-chloroaniline
CID 54796354
1-chloro-4-(1-chlorobutan-2-yloxy)benzene
CID 70462784
ethyl (2S)-3-(4-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanoate
CID 125467568
2-(4-chlorophenyl)-2-hydroperoxyethanol
CID 25136213
1-(4-chlorophenoxy)butan-1-ol
CID 23332143
1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene
CID 39380952
[4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol
CID 124567142
(3S)-3-[4-(hydroxymethyl)phenoxy]butanoic acid
CID 103547969

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-chlorophenyl)propoxy]phenyl]methanol?
The IUPAC name of [4-[1-(4-chlorophenyl)propoxy]phenyl]methanol (CID 70488911) is [4-[1-(4-chlorophenyl)propoxy]phenyl]methanol.
What is the SMILES notation for [4-[1-(4-chlorophenyl)propoxy]phenyl]methanol?
The canonical SMILES for [4-[1-(4-chlorophenyl)propoxy]phenyl]methanol is CCC(Oc1ccc(CO)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [4-[1-(4-chlorophenyl)propoxy]phenyl]methanol?
The InChIKey is QUZZJIXRHYQEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-2-16(13-5-7-14(17)8-6-13)19-15-9-3-12(11-18)4-10-15/h3-10,16,18H,2,11H2,1H3.
What are the key properties of [4-[1-(4-chlorophenyl)propoxy]phenyl]methanol?
[4-[1-(4-chlorophenyl)propoxy]phenyl]methanol has a molecular weight of 276.76 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-chlorophenyl)propoxy]phenyl]methanol is sourced from PubChem (CID 70488911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).