1-(2-chloropropan-2-yl)-3-methoxybenzene

C10H13ClO — CID 67293562

IUPAC1-(2-chloropropan-2-yl)-3-methoxybenzene
SMILESCOc1cccc(C(C)(C)Cl)c1
InChIInChI=1S/C10H13ClO/c1-10(2,11)8-5-4-6-9(7-8)12-3/h4-7H,1-3H3
InChIKeyXIYQZLLSXPVZFF-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.17
Rot. Bonds2

About 1-(2-chloropropan-2-yl)-3-methoxybenzene

1-(2-chloropropan-2-yl)-3-methoxybenzene (PubChem CID 67293562) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-(2-chloropropan-2-yl)-3-methoxybenzene.

Molecular Properties

Compound Name1-(2-chloropropan-2-yl)-3-methoxybenzene
PubChem CID67293562
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name1-(2-chloropropan-2-yl)-3-methoxybenzene
SMILESCOc1cccc(C(C)(C)Cl)c1
InChIInChI=1S/C10H13ClO/c1-10(2,11)8-5-4-6-9(7-8)12-3/h4-7H,1-3H3
InChIKeyXIYQZLLSXPVZFF-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.17
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

(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
CID 176900068
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene
CID 91442545
1-tert-butyl-4-[2-(3-methoxyphenyl)-2-methylpropyl]benzene
CID 129081798
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
1-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 54946064

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropropan-2-yl)-3-methoxybenzene?
The IUPAC name of 1-(2-chloropropan-2-yl)-3-methoxybenzene (CID 67293562) is 1-(2-chloropropan-2-yl)-3-methoxybenzene.
What is the SMILES notation for 1-(2-chloropropan-2-yl)-3-methoxybenzene?
The canonical SMILES for 1-(2-chloropropan-2-yl)-3-methoxybenzene is COc1cccc(C(C)(C)Cl)c1.
What is the InChIKey of 1-(2-chloropropan-2-yl)-3-methoxybenzene?
The InChIKey is XIYQZLLSXPVZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-10(2,11)8-5-4-6-9(7-8)12-3/h4-7H,1-3H3.
What are the key properties of 1-(2-chloropropan-2-yl)-3-methoxybenzene?
1-(2-chloropropan-2-yl)-3-methoxybenzene has a molecular weight of 184.67 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropropan-2-yl)-3-methoxybenzene is sourced from PubChem (CID 67293562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).