[3-chloro-4-(4-methoxybutoxy)phenyl]methanol

C12H17ClO3 — CID 115777024

IUPAC[3-chloro-4-(4-methoxybutoxy)phenyl]methanol
SMILESCOCCCCOc1ccc(CO)cc1Cl
InChIInChI=1S/C12H17ClO3/c1-15-6-2-3-7-16-12-5-4-10(9-14)8-11(12)13/h4-5,8,14H,2-3,6-7,9H2,1H3
InChIKeySFQIOEQCGZDEMK-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.64
Rot. Bonds7

About [3-chloro-4-(4-methoxybutoxy)phenyl]methanol

[3-chloro-4-(4-methoxybutoxy)phenyl]methanol (PubChem CID 115777024) has the molecular formula C12H17ClO3 and a molecular weight of 244.72 g/mol. Its IUPAC name is [3-chloro-4-(4-methoxybutoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(4-methoxybutoxy)phenyl]methanol
PubChem CID115777024
Molecular FormulaC12H17ClO3
Molecular Weight244.72 g/mol
Exact Mass244.09
IUPAC Name[3-chloro-4-(4-methoxybutoxy)phenyl]methanol
SMILESCOCCCCOc1ccc(CO)cc1Cl
InChIInChI=1S/C12H17ClO3/c1-15-6-2-3-7-16-12-5-4-10(9-14)8-11(12)13/h4-5,8,14H,2-3,6-7,9H2,1H3
InChIKeySFQIOEQCGZDEMK-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

(3-chloro-4-nonoxyphenyl)methanol
CID 63533386
[4-chloro-3-(3-methoxypropoxy)phenyl]methanol
CID 70333908
[3-chloro-4-(4-methylpentoxy)phenyl]methanol
CID 83159020
[3-chloro-4-(2-ethoxyethoxy)phenyl]methanol
CID 55031367
[3-chloro-4-(3-ethylsulfonylpropoxy)phenyl]methanol
CID 65098173
1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991077
3-chloro-4-(4-methoxybutoxy)benzoic acid
CID 104646800
[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol
CID 143066572
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
[3-chloro-4-(2-propoxyphenoxy)phenyl]methanol
CID 81151158
[5-chloro-2-(4-methoxybutoxy)phenyl]methanol
CID 104647989
(1S)-1-[3-chloro-4-(4-methoxybutoxy)phenyl]ethanamine
CID 113436828

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(4-methoxybutoxy)phenyl]methanol?
The IUPAC name of [3-chloro-4-(4-methoxybutoxy)phenyl]methanol (CID 115777024) is [3-chloro-4-(4-methoxybutoxy)phenyl]methanol.
What is the SMILES notation for [3-chloro-4-(4-methoxybutoxy)phenyl]methanol?
The canonical SMILES for [3-chloro-4-(4-methoxybutoxy)phenyl]methanol is COCCCCOc1ccc(CO)cc1Cl.
What is the InChIKey of [3-chloro-4-(4-methoxybutoxy)phenyl]methanol?
The InChIKey is SFQIOEQCGZDEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO3/c1-15-6-2-3-7-16-12-5-4-10(9-14)8-11(12)13/h4-5,8,14H,2-3,6-7,9H2,1H3.
What are the key properties of [3-chloro-4-(4-methoxybutoxy)phenyl]methanol?
[3-chloro-4-(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 [3-chloro-4-(4-methoxybutoxy)phenyl]methanol is sourced from PubChem (CID 115777024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).