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

C11H15ClO3 — CID 55031367

IUPAC[3-chloro-4-(2-ethoxyethoxy)phenyl]methanol
SMILESCCOCCOc1ccc(CO)cc1Cl
InChIInChI=1S/C11H15ClO3/c1-2-14-5-6-15-11-4-3-9(8-13)7-10(11)12/h3-4,7,13H,2,5-6,8H2,1H3
InChIKeyCRVGZSYVHDUUMV-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.25
Rot. Bonds6

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

[3-chloro-4-(2-ethoxyethoxy)phenyl]methanol (PubChem CID 55031367) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is [3-chloro-4-(2-ethoxyethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(2-ethoxyethoxy)phenyl]methanol
PubChem CID55031367
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name[3-chloro-4-(2-ethoxyethoxy)phenyl]methanol
SMILESCCOCCOc1ccc(CO)cc1Cl
InChIInChI=1S/C11H15ClO3/c1-2-14-5-6-15-11-4-3-9(8-13)7-10(11)12/h3-4,7,13H,2,5-6,8H2,1H3
InChIKeyCRVGZSYVHDUUMV-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-nonoxyphenyl)methanol
CID 63533386
[3-chloro-4-(4-methoxybutoxy)phenyl]methanol
CID 115777024
[3-chloro-4-(3-ethylsulfonylpropoxy)phenyl]methanol
CID 65098173
[3-chloro-4-(4-methylpentoxy)phenyl]methanol
CID 83159020
[3-chloro-4-(2-propoxyphenoxy)phenyl]methanol
CID 81151158
1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991077
1-butoxy-3-[2-chloro-4-(hydroxymethyl)phenoxy]propan-2-ol
CID 107263397
1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65180611
[3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol
CID 62019338
N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine
CID 65176295
1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine
CID 62911552
[3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528359

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(2-ethoxyethoxy)phenyl]methanol?
The IUPAC name of [3-chloro-4-(2-ethoxyethoxy)phenyl]methanol (CID 55031367) is [3-chloro-4-(2-ethoxyethoxy)phenyl]methanol.
What is the SMILES notation for [3-chloro-4-(2-ethoxyethoxy)phenyl]methanol?
The canonical SMILES for [3-chloro-4-(2-ethoxyethoxy)phenyl]methanol is CCOCCOc1ccc(CO)cc1Cl.
What is the InChIKey of [3-chloro-4-(2-ethoxyethoxy)phenyl]methanol?
The InChIKey is CRVGZSYVHDUUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c1-2-14-5-6-15-11-4-3-9(8-13)7-10(11)12/h3-4,7,13H,2,5-6,8H2,1H3.
What are the key properties of [3-chloro-4-(2-ethoxyethoxy)phenyl]methanol?
[3-chloro-4-(2-ethoxyethoxy)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 [3-chloro-4-(2-ethoxyethoxy)phenyl]methanol is sourced from PubChem (CID 55031367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).