1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene

C17H19ClO2 — CID 144539206

IUPAC1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(Cc2ccc(OCCCCl)cc2)cc1
InChIInChI=1S/C17H19ClO2/c1-19-16-7-3-14(4-8-16)13-15-5-9-17(10-6-15)20-12-2-11-18/h3-10H,2,11-13H2,1H3
InChIKeyWPCOZLSELOIITI-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.29
Rot. Bonds7

About 1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene

1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene (PubChem CID 144539206) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene
PubChem CID144539206
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(Cc2ccc(OCCCCl)cc2)cc1
InChIInChI=1S/C17H19ClO2/c1-19-16-7-3-14(4-8-16)13-15-5-9-17(10-6-15)20-12-2-11-18/h3-10H,2,11-13H2,1H3
InChIKeyWPCOZLSELOIITI-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150
1,4-bis(3-chloropropoxy)benzene
CID 20523958
1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 101232292
ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261
ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206
1-(chloromethyl)-4-(3-methoxypropoxy)benzene
CID 60925978
5-(4-methoxyphenoxy)-N-methylpentan-1-amine
CID 62458714
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-methoxy-4-tetradecoxybenzene
CID 91712423
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
4-benzyl-1-[2-(4-methoxyphenoxy)ethyl]pyridin-1-ium
CID 8859751

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene?
The IUPAC name of 1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene (CID 144539206) is 1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene?
The canonical SMILES for 1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene is COc1ccc(Cc2ccc(OCCCCl)cc2)cc1.
What is the InChIKey of 1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene?
The InChIKey is WPCOZLSELOIITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-19-16-7-3-14(4-8-16)13-15-5-9-17(10-6-15)20-12-2-11-18/h3-10H,2,11-13H2,1H3.
What are the key properties of 1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene?
1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene has a molecular weight of 290.79 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 144539206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).