1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol

C18H23ClO3 — CID 159394766

IUPAC1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(CCCl)cc1.COc1ccc(CCO)cc1
InChIInChI=1S/C9H11ClO.C9H12O2/c2*1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3;2-5,10H,6-7H2,1H3
InChIKeyLMOMODXBUGJWOT-UHFFFAOYSA-N
MW322.83 g/mol
LogP3.71
Rot. Bonds6

About 1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol

1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol (PubChem CID 159394766) has the molecular formula C18H23ClO3 and a molecular weight of 322.83 g/mol. Its IUPAC name is 1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol
PubChem CID159394766
Molecular FormulaC18H23ClO3
Molecular Weight322.83 g/mol
Exact Mass322.13
IUPAC Name1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(CCCl)cc1.COc1ccc(CCO)cc1
InChIInChI=1S/C9H11ClO.C9H12O2/c2*1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3;2-5,10H,6-7H2,1H3
InChIKeyLMOMODXBUGJWOT-UHFFFAOYSA-N
XLogP3.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.83
LogP ≤ 53.71
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

N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 114299189
2-[4-chloro-3-(4-methoxyphenyl)phenyl]ethanol
CID 170838643
(4-methoxyphenyl)methanol
CID 7738
2-[4-(methoxymethoxy)phenyl]ethanol
CID 16638841
6-chloro-1-(4-methoxyphenyl)hexan-3-one
CID 66046584
[4-(2-chloroethyl)phenyl] acetate
CID 11847845
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
ethane;1-methoxy-4-propylbenzene
CID 142085762
2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol
CID 107708398
3-(2-hydroxyethyl)-5-[(4-methoxyphenyl)methoxy]phenol
CID 143727870
dihydroxy-[2-(4-methoxyphenyl)ethyl]azanium
CID 163155275
2-(4-trimethylsilyloxyphenyl)ethanol
CID 167738071

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol (CID 159394766) is 1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol is COc1ccc(CCCl)cc1.COc1ccc(CCO)cc1.
What is the InChIKey of 1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol?
The InChIKey is LMOMODXBUGJWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO.C9H12O2/c2*1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3;2-5,10H,6-7H2,1H3.
What are the key properties of 1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol?
1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol has a molecular weight of 322.83 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 159394766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).