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

C11H15ClO3 — CID 70333908

IUPAC[4-chloro-3-(3-methoxypropoxy)phenyl]methanol
SMILESCOCCCOc1cc(CO)ccc1Cl
InChIInChI=1S/C11H15ClO3/c1-14-5-2-6-15-11-7-9(8-13)3-4-10(11)12/h3-4,7,13H,2,5-6,8H2,1H3
InChIKeyLUHNOHQDVTXDRQ-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.25
Rot. Bonds6

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

[4-chloro-3-(3-methoxypropoxy)phenyl]methanol (PubChem CID 70333908) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is [4-chloro-3-(3-methoxypropoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-3-(3-methoxypropoxy)phenyl]methanol
PubChem CID70333908
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name[4-chloro-3-(3-methoxypropoxy)phenyl]methanol
SMILESCOCCCOc1cc(CO)ccc1Cl
InChIInChI=1S/C11H15ClO3/c1-14-5-2-6-15-11-7-9(8-13)3-4-10(11)12/h3-4,7,13H,2,5-6,8H2,1H3
InChIKeyLUHNOHQDVTXDRQ-UHFFFAOYSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.25
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-(4-methoxybutoxy)phenyl]methanol
CID 115777024
[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol
CID 143066572
[3-(2-methoxyethoxy)-4-methylphenyl]methanol
CID 118408450
[1-[4-chloro-3-(3-methoxypropoxy)phenyl]-3-methylbutan-2-yl]urea
CID 123935421
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
(3-chloro-4-nonoxyphenyl)methanol
CID 63533386
3-[4-chloro-3-(3-methoxypropoxy)phenyl]sulfanylpropanoic acid
CID 155339816
[3-chloro-4-(4-methylpentoxy)phenyl]methanol
CID 83159020
1-chloro-2-(4-methoxybutoxy)benzene
CID 59339544
[5-chloro-2-(4-methoxybutoxy)phenyl]methanol
CID 104647989
[3-chloro-4-(3-ethylsulfonylpropoxy)phenyl]methanol
CID 65098173

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(3-methoxypropoxy)phenyl]methanol?
The IUPAC name of [4-chloro-3-(3-methoxypropoxy)phenyl]methanol (CID 70333908) is [4-chloro-3-(3-methoxypropoxy)phenyl]methanol.
What is the SMILES notation for [4-chloro-3-(3-methoxypropoxy)phenyl]methanol?
The canonical SMILES for [4-chloro-3-(3-methoxypropoxy)phenyl]methanol is COCCCOc1cc(CO)ccc1Cl.
What is the InChIKey of [4-chloro-3-(3-methoxypropoxy)phenyl]methanol?
The InChIKey is LUHNOHQDVTXDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c1-14-5-2-6-15-11-7-9(8-13)3-4-10(11)12/h3-4,7,13H,2,5-6,8H2,1H3.
What are the key properties of [4-chloro-3-(3-methoxypropoxy)phenyl]methanol?
[4-chloro-3-(3-methoxypropoxy)phenyl]methanol has a molecular weight of 230.69 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(3-methoxypropoxy)phenyl]methanol is sourced from PubChem (CID 70333908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).