2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol

C12H16Cl2O2 — CID 164892670

IUPAC2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol
SMILESCc1cc(C(O)C(Cl)Cl)ccc1OC(C)C
InChIInChI=1S/C12H16Cl2O2/c1-7(2)16-10-5-4-9(6-8(10)3)11(15)12(13)14/h4-7,11-12,15H,1-3H3
InChIKeyUHVATGJKXYJRTN-UHFFFAOYSA-N
MW263.16 g/mol
LogP3.62
Rot. Bonds4

About 2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol

2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol (PubChem CID 164892670) has the molecular formula C12H16Cl2O2 and a molecular weight of 263.16 g/mol. Its IUPAC name is 2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol
PubChem CID164892670
Molecular FormulaC12H16Cl2O2
Molecular Weight263.16 g/mol
Exact Mass262.05
IUPAC Name2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol
SMILESCc1cc(C(O)C(Cl)Cl)ccc1OC(C)C
InChIInChI=1S/C12H16Cl2O2/c1-7(2)16-10-5-4-9(6-8(10)3)11(15)12(13)14/h4-7,11-12,15H,1-3H3
InChIKeyUHVATGJKXYJRTN-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanol
CID 164892730
2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol
CID 117297903
2,2-dichloro-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 164893082
2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene
CID 134400936
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 82492417
2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid
CID 82476689
2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid
CID 112514675
4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid
CID 112516192
(3-methyl-4-propan-2-yloxyphenyl)boronic acid
CID 23005368
cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine
CID 82296047
3-(methylamino)-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112518832

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol (CID 164892670) is 2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol is Cc1cc(C(O)C(Cl)Cl)ccc1OC(C)C.
What is the InChIKey of 2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol?
The InChIKey is UHVATGJKXYJRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O2/c1-7(2)16-10-5-4-9(6-8(10)3)11(15)12(13)14/h4-7,11-12,15H,1-3H3.
What are the key properties of 2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol?
2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol has a molecular weight of 263.16 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 164892670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).