1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol

C20H29ClO4 — CID 158538625

IUPAC1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol
SMILESCCOCC.COc1ccc(CCl)cc1.COc1ccc(CO)cc1
InChIInChI=1S/C8H9ClO.C8H10O2.C4H10O/c2*1-10-8-4-2-7(6-9)3-5-8;1-3-5-4-2/h2-5H,6H2,1H3;2-5,9H,6H2,1H3;3-4H2,1-2H3
InChIKeyHOGBKQFMSSMLSI-UHFFFAOYSA-N
MW368.90 g/mol
LogP4.66
Rot. Bonds6

About 1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol

1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol (PubChem CID 158538625) has the molecular formula C20H29ClO4 and a molecular weight of 368.90 g/mol. Its IUPAC name is 1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol
PubChem CID158538625
Molecular FormulaC20H29ClO4
Molecular Weight368.90 g/mol
Exact Mass368.18
IUPAC Name1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol
SMILESCCOCC.COc1ccc(CCl)cc1.COc1ccc(CO)cc1
InChIInChI=1S/C8H9ClO.C8H10O2.C4H10O/c2*1-10-8-4-2-7(6-9)3-5-8;1-3-5-4-2/h2-5H,6H2,1H3;2-5,9H,6H2,1H3;3-4H2,1-2H3
InChIKeyHOGBKQFMSSMLSI-UHFFFAOYSA-N
XLogP4.66
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.90
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
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1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol
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(4-methoxyphenyl)methanol;nitric acid
CID 71402449
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol
CID 159394766
butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol
CID 143474239
4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol
CID 66058011
[4-[4-(ethoxymethyl)phenyl]phenyl]methanol
CID 123162407
1-(chloromethyl)-4-pentan-3-yloxybenzene
CID 54051515

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol?
The IUPAC name of 1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol (CID 158538625) is 1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol.
What is the SMILES notation for 1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol?
The canonical SMILES for 1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol is CCOCC.COc1ccc(CCl)cc1.COc1ccc(CO)cc1.
What is the InChIKey of 1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol?
The InChIKey is HOGBKQFMSSMLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO.C8H10O2.C4H10O/c2*1-10-8-4-2-7(6-9)3-5-8;1-3-5-4-2/h2-5H,6H2,1H3;2-5,9H,6H2,1H3;3-4H2,1-2H3.
What are the key properties of 1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol?
1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol has a molecular weight of 368.90 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol is sourced from PubChem (CID 158538625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).