1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene

C10H12Cl2O2 — CID 153108822

IUPAC1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
SMILESCOc1cc(OC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2O2/c1-6(2)14-10-5-9(13-3)7(11)4-8(10)12/h4-6H,1-3H3
InChIKeyVSNIIUCMDXVEIF-UHFFFAOYSA-N
MW235.11 g/mol
LogP3.79
Rot. Bonds3

About 1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene

1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene (PubChem CID 153108822) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is 1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
PubChem CID153108822
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
SMILESCOc1cc(OC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2O2/c1-6(2)14-10-5-9(13-3)7(11)4-8(10)12/h4-6H,1-3H3
InChIKeyVSNIIUCMDXVEIF-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methoxy-4-propan-2-yloxybenzoic acid
CID 54184190
(2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid
CID 139884509
4-chloro-2,5-di(propan-2-yloxy)phenol
CID 82267991
1-bromo-2,5-dichloro-4-propan-2-yloxybenzene
CID 97057561
2,5-dichloro-4-propan-2-yloxyaniline
CID 84819900
chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine
CID 159749309
1-methoxy-4-(4-methoxy-3-propan-2-yloxyphenyl)-2-propan-2-yloxybenzene
CID 101106893
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065
1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene
CID 164894496
5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline
CID 43362759
5-chloro-2-fluoro-4-propan-2-yloxyaniline
CID 130516814

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene?
The IUPAC name of 1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene (CID 153108822) is 1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene.
What is the SMILES notation for 1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene?
The canonical SMILES for 1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene is COc1cc(OC(C)C)c(Cl)cc1Cl.
What is the InChIKey of 1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene?
The InChIKey is VSNIIUCMDXVEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2/c1-6(2)14-10-5-9(13-3)7(11)4-8(10)12/h4-6H,1-3H3.
What are the key properties of 1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene?
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene has a molecular weight of 235.11 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene is sourced from PubChem (CID 153108822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).