1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene

C13H19ClO2 — CID 58044467

IUPAC1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene
SMILESCO[C@@H](COc1ccccc1Cl)CC(C)C
InChIInChI=1S/C13H19ClO2/c1-10(2)8-11(15-3)9-16-13-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3/t11-/m1/s1
InChIKeyPDJFCWWFHKKEBB-LLVKDONJSA-N
MW242.75 g/mol
LogP3.78
Rot. Bonds6

About 1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene

1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene (PubChem CID 58044467) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene.

Molecular Properties

Compound Name1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene
PubChem CID58044467
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene
SMILESCO[C@@H](COc1ccccc1Cl)CC(C)C
InChIInChI=1S/C13H19ClO2/c1-10(2)8-11(15-3)9-16-13-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3/t11-/m1/s1
InChIKeyPDJFCWWFHKKEBB-LLVKDONJSA-N
XLogP3.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 124673132
(2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine
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1-chloro-2-(4-methylpentoxy)benzene
CID 59060951
N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide
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[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium
CID 2286972
1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol
CID 2914248
1-(2-chlorophenoxy)-4-methoxybutan-2-amine
CID 117236727
3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62454588
methyl 2-amino-3-(2-chlorophenoxy)propanoate
CID 86263203
5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene
CID 91335620

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene?
The IUPAC name of 1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene (CID 58044467) is 1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene.
What is the SMILES notation for 1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene?
The canonical SMILES for 1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene is CO[C@@H](COc1ccccc1Cl)CC(C)C.
What is the InChIKey of 1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene?
The InChIKey is PDJFCWWFHKKEBB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-10(2)8-11(15-3)9-16-13-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene?
1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene has a molecular weight of 242.75 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene is sourced from PubChem (CID 58044467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).