1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene

C19H23ClO — CID 63431022

IUPAC1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene
SMILESCCOc1ccc(C(Cl)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C19H23ClO/c1-4-21-18-11-9-17(10-12-18)19(20)16-7-5-15(6-8-16)13-14(2)3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyRSOJNYGPKYRTDB-UHFFFAOYSA-N
MW302.85 g/mol
LogP5.61
Rot. Bonds6

About 1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene

1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene (PubChem CID 63431022) has the molecular formula C19H23ClO and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene
PubChem CID63431022
Molecular FormulaC19H23ClO
Molecular Weight302.85 g/mol
Exact Mass302.14
IUPAC Name1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene
SMILESCCOc1ccc(C(Cl)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C19H23ClO/c1-4-21-18-11-9-17(10-12-18)19(20)16-7-5-15(6-8-16)13-14(2)3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyRSOJNYGPKYRTDB-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[chloro-(4-methoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431171
4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
CID 54852912
1-(2-bromopropyl)-4-ethoxybenzene
CID 82254885
1-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene
CID 63430575
5-[chloro-(4-ethoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 63429318
4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene
CID 61082919
1-(1-chloropropyl)-4-(2-methylpropyl)benzene
CID 11745911
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 7758120
1-(3-bromo-2-methylpropyl)-4-ethoxybenzene
CID 64671005
(4-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542362
2-chloro-1-(4-ethoxyphenyl)-4,4-dimethylpentan-3-one
CID 82184966
1-ethoxy-4-(4-methylpentan-2-yl)benzene
CID 57011514

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene?
The IUPAC name of 1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene (CID 63431022) is 1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene is CCOc1ccc(C(Cl)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of 1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene?
The InChIKey is RSOJNYGPKYRTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO/c1-4-21-18-11-9-17(10-12-18)19(20)16-7-5-15(6-8-16)13-14(2)3/h5-12,14,19H,4,13H2,1-3H3.
What are the key properties of 1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene?
1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene has a molecular weight of 302.85 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene is sourced from PubChem (CID 63431022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).