[5-chloro-2-(3-phenylpropoxy)phenyl]methanol

C16H17ClO2 — CID 43324882

IUPAC[5-chloro-2-(3-phenylpropoxy)phenyl]methanol
SMILESOCc1cc(Cl)ccc1OCCCc1ccccc1
InChIInChI=1S/C16H17ClO2/c17-15-8-9-16(14(11-15)12-18)19-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,18H,4,7,10,12H2
InChIKeyJDMRVLXQMXAGBL-UHFFFAOYSA-N
MW276.76 g/mol
LogP3.84
Rot. Bonds6

About [5-chloro-2-(3-phenylpropoxy)phenyl]methanol

[5-chloro-2-(3-phenylpropoxy)phenyl]methanol (PubChem CID 43324882) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is [5-chloro-2-(3-phenylpropoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(3-phenylpropoxy)phenyl]methanol
PubChem CID43324882
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name[5-chloro-2-(3-phenylpropoxy)phenyl]methanol
SMILESOCc1cc(Cl)ccc1OCCCc1ccccc1
InChIInChI=1S/C16H17ClO2/c17-15-8-9-16(14(11-15)12-18)19-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,18H,4,7,10,12H2
InChIKeyJDMRVLXQMXAGBL-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-chloro-2-(3-phenylpropoxy)phenyl]acetic acid
CID 10638258
[5-chloro-2-(4-methoxybutoxy)phenyl]methanol
CID 104647989
[5-chloro-2-(3-ethoxypropoxy)phenyl]methanol
CID 65175257
[2,4-bis(3-phenylpropoxy)phenyl]methanol
CID 54794890
1,4-dichloro-2-(4-phenylbutoxy)benzene
CID 114334883
1-[5-chloro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 62074214
[3-bromo-4-(3-phenylpropoxy)phenyl]methanol
CID 63051637
5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid
CID 15604735
[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 61485306
1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine
CID 10496628
4-[[5-chloro-2-(2-phenylethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 20988918
4-[3,4-bis(3-phenylpropoxy)phenyl]butan-1-ol
CID 160796126

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3-phenylpropoxy)phenyl]methanol?
The IUPAC name of [5-chloro-2-(3-phenylpropoxy)phenyl]methanol (CID 43324882) is [5-chloro-2-(3-phenylpropoxy)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(3-phenylpropoxy)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(3-phenylpropoxy)phenyl]methanol is OCc1cc(Cl)ccc1OCCCc1ccccc1.
What is the InChIKey of [5-chloro-2-(3-phenylpropoxy)phenyl]methanol?
The InChIKey is JDMRVLXQMXAGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c17-15-8-9-16(14(11-15)12-18)19-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,18H,4,7,10,12H2.
What are the key properties of [5-chloro-2-(3-phenylpropoxy)phenyl]methanol?
[5-chloro-2-(3-phenylpropoxy)phenyl]methanol has a molecular weight of 276.76 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3-phenylpropoxy)phenyl]methanol is sourced from PubChem (CID 43324882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).