1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol

C20H27ClO3 — CID 67398400

IUPAC1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol
SMILESCOCCc1ccc(CCl)cc1.COCCc1ccc(CO)cc1
InChIInChI=1S/C10H13ClO.C10H14O2/c2*1-12-7-6-9-2-4-10(8-11)5-3-9/h2-5H,6-8H2,1H3;2-5,11H,6-8H2,1H3
InChIKeyKULQTCSMQMHJKE-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.98
Rot. Bonds8

About 1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol

1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol (PubChem CID 67398400) has the molecular formula C20H27ClO3 and a molecular weight of 350.89 g/mol. Its IUPAC name is 1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol.

Molecular Properties

Compound Name1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol
PubChem CID67398400
Molecular FormulaC20H27ClO3
Molecular Weight350.89 g/mol
Exact Mass350.16
IUPAC Name1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol
SMILESCOCCc1ccc(CCl)cc1.COCCc1ccc(CO)cc1
InChIInChI=1S/C10H13ClO.C10H14O2/c2*1-12-7-6-9-2-4-10(8-11)5-3-9/h2-5H,6-8H2,1H3;2-5,11H,6-8H2,1H3
InChIKeyKULQTCSMQMHJKE-UHFFFAOYSA-N
XLogP3.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 163893222
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ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol
CID 144873732
4-[4-(2-methoxyethyl)phenyl]phenol
CID 174937616
2-methoxyethylbenzene
CID 19089
1-tert-butyl-4-(2-methoxyethyl)benzene
CID 67201808
1-(chloromethyl)-4-(3-methoxypropoxy)benzene
CID 60925978
[3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol
CID 106530155
(4-chlorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 55133393
1-(2-methoxyethyl)-4-(2-methylpropyl)benzene
CID 67638248
1-ethyl-4-[4-(2-methoxyethyl)phenyl]benzene
CID 71122452

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol?
The IUPAC name of 1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol (CID 67398400) is 1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol.
What is the SMILES notation for 1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol?
The canonical SMILES for 1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol is COCCc1ccc(CCl)cc1.COCCc1ccc(CO)cc1.
What is the InChIKey of 1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol?
The InChIKey is KULQTCSMQMHJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO.C10H14O2/c2*1-12-7-6-9-2-4-10(8-11)5-3-9/h2-5H,6-8H2,1H3;2-5,11H,6-8H2,1H3.
What are the key properties of 1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol?
1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol has a molecular weight of 350.89 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol is sourced from PubChem (CID 67398400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).