[5-chloro-2-(4-methoxybutoxy)phenyl]methanol

C12H17ClO3 — CID 104647989

IUPAC[5-chloro-2-(4-methoxybutoxy)phenyl]methanol
SMILESCOCCCCOc1ccc(Cl)cc1CO
InChIInChI=1S/C12H17ClO3/c1-15-6-2-3-7-16-12-5-4-11(13)8-10(12)9-14/h4-5,8,14H,2-3,6-7,9H2,1H3
InChIKeyCIATTYYTAHETIX-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.64
Rot. Bonds7

About [5-chloro-2-(4-methoxybutoxy)phenyl]methanol

[5-chloro-2-(4-methoxybutoxy)phenyl]methanol (PubChem CID 104647989) has the molecular formula C12H17ClO3 and a molecular weight of 244.72 g/mol. Its IUPAC name is [5-chloro-2-(4-methoxybutoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(4-methoxybutoxy)phenyl]methanol
PubChem CID104647989
Molecular FormulaC12H17ClO3
Molecular Weight244.72 g/mol
Exact Mass244.09
IUPAC Name[5-chloro-2-(4-methoxybutoxy)phenyl]methanol
SMILESCOCCCCOc1ccc(Cl)cc1CO
InChIInChI=1S/C12H17ClO3/c1-15-6-2-3-7-16-12-5-4-11(13)8-10(12)9-14/h4-5,8,14H,2-3,6-7,9H2,1H3
InChIKeyCIATTYYTAHETIX-UHFFFAOYSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-chloro-2-(3-ethoxypropoxy)phenyl]methanol
CID 65175257
[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 61485306
[5-chloro-2-(3-phenylpropoxy)phenyl]methanol
CID 43324882
5-[4-chloro-2-(hydroxymethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 65255404
2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
CID 43142012
(1S)-1-[5-chloro-2-(4-methoxybutoxy)phenyl]ethanol
CID 104648019
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799
[3-chloro-4-(4-methoxybutoxy)phenyl]methanol
CID 115777024
[5-chloro-2-(2-methoxyphenoxy)phenyl]methanol
CID 114846046
[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43141927
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol
CID 103180530
5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride
CID 104647311

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(4-methoxybutoxy)phenyl]methanol?
The IUPAC name of [5-chloro-2-(4-methoxybutoxy)phenyl]methanol (CID 104647989) is [5-chloro-2-(4-methoxybutoxy)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(4-methoxybutoxy)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(4-methoxybutoxy)phenyl]methanol is COCCCCOc1ccc(Cl)cc1CO.
What is the InChIKey of [5-chloro-2-(4-methoxybutoxy)phenyl]methanol?
The InChIKey is CIATTYYTAHETIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO3/c1-15-6-2-3-7-16-12-5-4-11(13)8-10(12)9-14/h4-5,8,14H,2-3,6-7,9H2,1H3.
What are the key properties of [5-chloro-2-(4-methoxybutoxy)phenyl]methanol?
[5-chloro-2-(4-methoxybutoxy)phenyl]methanol has a molecular weight of 244.72 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(4-methoxybutoxy)phenyl]methanol is sourced from PubChem (CID 104647989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).