[3-chloro-4-(2-propoxyphenoxy)phenyl]methanol

C16H17ClO3 — CID 81151158

IUPAC[3-chloro-4-(2-propoxyphenoxy)phenyl]methanol
SMILESCCCOc1ccccc1Oc1ccc(CO)cc1Cl
InChIInChI=1S/C16H17ClO3/c1-2-9-19-15-5-3-4-6-16(15)20-14-8-7-12(11-18)10-13(14)17/h3-8,10,18H,2,9,11H2,1H3
InChIKeySDVOVIMSBBSGJE-UHFFFAOYSA-N
MW292.76 g/mol
LogP4.41
Rot. Bonds6

About [3-chloro-4-(2-propoxyphenoxy)phenyl]methanol

[3-chloro-4-(2-propoxyphenoxy)phenyl]methanol (PubChem CID 81151158) has the molecular formula C16H17ClO3 and a molecular weight of 292.76 g/mol. Its IUPAC name is [3-chloro-4-(2-propoxyphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(2-propoxyphenoxy)phenyl]methanol
PubChem CID81151158
Molecular FormulaC16H17ClO3
Molecular Weight292.76 g/mol
Exact Mass292.09
IUPAC Name[3-chloro-4-(2-propoxyphenoxy)phenyl]methanol
SMILESCCCOc1ccccc1Oc1ccc(CO)cc1Cl
InChIInChI=1S/C16H17ClO3/c1-2-9-19-15-5-3-4-6-16(15)20-14-8-7-12(11-18)10-13(14)17/h3-8,10,18H,2,9,11H2,1H3
InChIKeySDVOVIMSBBSGJE-UHFFFAOYSA-N
XLogP4.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine
CID 81159937
(3-chloro-4-nonoxyphenyl)methanol
CID 63533386
[4-(2-bromophenoxy)-3-chlorophenyl]methanol
CID 81152045
[3-chloro-4-(4-methoxybutoxy)phenyl]methanol
CID 115777024
[4-[(2-propoxyphenoxy)methyl]phenyl]methanol
CID 115969538
1-butoxy-3-[2-chloro-4-(hydroxymethyl)phenoxy]propan-2-ol
CID 107263397
[3-chloro-4-(2-ethoxyethoxy)phenyl]methanol
CID 55031367
[3-chloro-4-(3-ethylsulfonylpropoxy)phenyl]methanol
CID 65098173
[3-chloro-4-(4-methylpentoxy)phenyl]methanol
CID 83159020
[3,4-di(nonoxy)phenyl]methanol
CID 143615493
2-chloro-1-propoxy-4-propylbenzene;ethane
CID 143012036
[4-hexoxy-3-[12-[2-hexoxy-5-(hydroxymethyl)phenoxy]dodecoxy]phenyl]methanol
CID 71341806

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(2-propoxyphenoxy)phenyl]methanol?
The IUPAC name of [3-chloro-4-(2-propoxyphenoxy)phenyl]methanol (CID 81151158) is [3-chloro-4-(2-propoxyphenoxy)phenyl]methanol.
What is the SMILES notation for [3-chloro-4-(2-propoxyphenoxy)phenyl]methanol?
The canonical SMILES for [3-chloro-4-(2-propoxyphenoxy)phenyl]methanol is CCCOc1ccccc1Oc1ccc(CO)cc1Cl.
What is the InChIKey of [3-chloro-4-(2-propoxyphenoxy)phenyl]methanol?
The InChIKey is SDVOVIMSBBSGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO3/c1-2-9-19-15-5-3-4-6-16(15)20-14-8-7-12(11-18)10-13(14)17/h3-8,10,18H,2,9,11H2,1H3.
What are the key properties of [3-chloro-4-(2-propoxyphenoxy)phenyl]methanol?
[3-chloro-4-(2-propoxyphenoxy)phenyl]methanol has a molecular weight of 292.76 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(2-propoxyphenoxy)phenyl]methanol is sourced from PubChem (CID 81151158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).