1-chloro-3-(1-methoxypropan-2-yloxy)benzene

C10H13ClO2 — CID 64765471

IUPAC1-chloro-3-(1-methoxypropan-2-yloxy)benzene
SMILESCOCC(C)Oc1cccc(Cl)c1
InChIInChI=1S/C10H13ClO2/c1-8(7-12-2)13-10-5-3-4-9(11)6-10/h3-6,8H,7H2,1-2H3
InChIKeyYKTUYUGELFUSAP-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.75
Rot. Bonds4

About 1-chloro-3-(1-methoxypropan-2-yloxy)benzene

1-chloro-3-(1-methoxypropan-2-yloxy)benzene (PubChem CID 64765471) has the molecular formula C10H13ClO2 and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-chloro-3-(1-methoxypropan-2-yloxy)benzene.

Molecular Properties

Compound Name1-chloro-3-(1-methoxypropan-2-yloxy)benzene
PubChem CID64765471
Molecular FormulaC10H13ClO2
Molecular Weight200.67 g/mol
Exact Mass200.06
IUPAC Name1-chloro-3-(1-methoxypropan-2-yloxy)benzene
SMILESCOCC(C)Oc1cccc(Cl)c1
InChIInChI=1S/C10H13ClO2/c1-8(7-12-2)13-10-5-3-4-9(11)6-10/h3-6,8H,7H2,1-2H3
InChIKeyYKTUYUGELFUSAP-UHFFFAOYSA-N
XLogP2.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine
CID 103228336
2-(3-chlorophenoxy)propane-1-sulfonyl chloride
CID 112639789
1-[2-(3-chlorophenoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111513070
2-[2-(3-chlorophenoxy)propoxyimino]propanoic acid
CID 54022537
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine
CID 105165268
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine
CID 105184925
1-[2-(3-chlorophenoxy)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111491881
1-chloro-3-(1-methoxypropan-2-yl)benzene
CID 170008686
N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228332
2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine
CID 62228542

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1-methoxypropan-2-yloxy)benzene?
The IUPAC name of 1-chloro-3-(1-methoxypropan-2-yloxy)benzene (CID 64765471) is 1-chloro-3-(1-methoxypropan-2-yloxy)benzene.
What is the SMILES notation for 1-chloro-3-(1-methoxypropan-2-yloxy)benzene?
The canonical SMILES for 1-chloro-3-(1-methoxypropan-2-yloxy)benzene is COCC(C)Oc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(1-methoxypropan-2-yloxy)benzene?
The InChIKey is YKTUYUGELFUSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-8(7-12-2)13-10-5-3-4-9(11)6-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-chloro-3-(1-methoxypropan-2-yloxy)benzene?
1-chloro-3-(1-methoxypropan-2-yloxy)benzene has a molecular weight of 200.67 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1-methoxypropan-2-yloxy)benzene is sourced from PubChem (CID 64765471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).