1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride

C15H18Cl2O — CID 174678575

IUPAC1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
SMILESCc1ccc(OCCc2ccccc2)cc1.Cl.Cl
InChIInChI=1S/C15H16O.2ClH/c1-13-7-9-15(10-8-13)16-12-11-14-5-3-2-4-6-14;;/h2-10H,11-12H2,1H3;2*1H
InChIKeyDAVQGIGNUBKVPJ-UHFFFAOYSA-N
MW285.21 g/mol
LogP4.46
Rot. Bonds4

About 1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride

1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride (PubChem CID 174678575) has the molecular formula C15H18Cl2O and a molecular weight of 285.21 g/mol. Its IUPAC name is 1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride.

Molecular Properties

Compound Name1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
PubChem CID174678575
Molecular FormulaC15H18Cl2O
Molecular Weight285.21 g/mol
Exact Mass284.07
IUPAC Name1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
SMILESCc1ccc(OCCc2ccccc2)cc1.Cl.Cl
InChIInChI=1S/C15H16O.2ClH/c1-13-7-9-15(10-8-13)16-12-11-14-5-3-2-4-6-14;;/h2-10H,11-12H2,1H3;2*1H
InChIKeyDAVQGIGNUBKVPJ-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797347
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
1-(bromomethyl)-4-[2-(4-methylphenyl)ethoxy]benzene
CID 59435282
4-[2-(4-methylphenoxy)ethyl]pyridine
CID 64763978
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
2-[4-[2-(4-phenylmethoxyphenyl)ethoxy]phenyl]ethyl 4-methylbenzenesulfonate
CID 139768763
2-(4-methylphenoxy)ethyl 2-phenylacetate
CID 55319310
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride?
The IUPAC name of 1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride (CID 174678575) is 1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride.
What is the SMILES notation for 1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride?
The canonical SMILES for 1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride is Cc1ccc(OCCc2ccccc2)cc1.Cl.Cl.
What is the InChIKey of 1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride?
The InChIKey is DAVQGIGNUBKVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.2ClH/c1-13-7-9-15(10-8-13)16-12-11-14-5-3-2-4-6-14;;/h2-10H,11-12H2,1H3;2*1H.
What are the key properties of 1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride?
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride has a molecular weight of 285.21 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride is sourced from PubChem (CID 174678575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).