1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene

C18H15BrO — CID 70824609

IUPAC1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene
SMILESCOc1c(Br)cc(C)cc1-c1cccc2ccccc12
InChIInChI=1S/C18H15BrO/c1-12-10-16(18(20-2)17(19)11-12)15-9-5-7-13-6-3-4-8-14(13)15/h3-11H,1-2H3
InChIKeyDKJCQWRACZDOAZ-UHFFFAOYSA-N
MW327.22 g/mol
LogP5.59
Rot. Bonds2

About 1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene

1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene (PubChem CID 70824609) has the molecular formula C18H15BrO and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene.

Molecular Properties

Compound Name1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene
PubChem CID70824609
Molecular FormulaC18H15BrO
Molecular Weight327.22 g/mol
Exact Mass326.03
IUPAC Name1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene
SMILESCOc1c(Br)cc(C)cc1-c1cccc2ccccc12
InChIInChI=1S/C18H15BrO/c1-12-10-16(18(20-2)17(19)11-12)15-9-5-7-13-6-3-4-8-14(13)15/h3-11H,1-2H3
InChIKeyDKJCQWRACZDOAZ-UHFFFAOYSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.22
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene
CID 71418637
1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
CID 18454866
2,6-bis(3-bromo-2-methoxy-5-methylphenyl)pyrylium tetrafluoroborate
CID 134909696
3-bromo-2-methoxy-1-methylnaphthalene
CID 97036456
1-(3-bromo-5-methylphenyl)naphthalene
CID 155180457
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
1-[2-(2-methoxyphenyl)phenyl]naphthalene
CID 175027379
10-bromo-1,8-dinaphthalen-1-ylanthracene
CID 142748884
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
CID 175282704
CID 175282704
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene?
The IUPAC name of 1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene (CID 70824609) is 1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene.
What is the SMILES notation for 1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene?
The canonical SMILES for 1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene is COc1c(Br)cc(C)cc1-c1cccc2ccccc12.
What is the InChIKey of 1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene?
The InChIKey is DKJCQWRACZDOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO/c1-12-10-16(18(20-2)17(19)11-12)15-9-5-7-13-6-3-4-8-14(13)15/h3-11H,1-2H3.
What are the key properties of 1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene?
1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene has a molecular weight of 327.22 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene is sourced from PubChem (CID 70824609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).