1,3-dimethyl-7-(4-methylphenyl)naphthalene

C19H18 — CID 160612509

IUPAC1,3-dimethyl-7-(4-methylphenyl)naphthalene
SMILESCc1ccc(-c2ccc3cc(C)cc(C)c3c2)cc1
InChIInChI=1S/C19H18/c1-13-4-6-16(7-5-13)17-8-9-18-11-14(2)10-15(3)19(18)12-17/h4-12H,1-3H3
InChIKeySSIMDZNVAMACQH-UHFFFAOYSA-N
MW246.35 g/mol
LogP5.43
Rot. Bonds1

About 1,3-dimethyl-7-(4-methylphenyl)naphthalene

1,3-dimethyl-7-(4-methylphenyl)naphthalene (PubChem CID 160612509) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1,3-dimethyl-7-(4-methylphenyl)naphthalene.

Molecular Properties

Compound Name1,3-dimethyl-7-(4-methylphenyl)naphthalene
PubChem CID160612509
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name1,3-dimethyl-7-(4-methylphenyl)naphthalene
SMILESCc1ccc(-c2ccc3cc(C)cc(C)c3c2)cc1
InChIInChI=1S/C19H18/c1-13-4-6-16(7-5-13)17-8-9-18-11-14(2)10-15(3)19(18)12-17/h4-12H,1-3H3
InChIKeySSIMDZNVAMACQH-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7,20-bis(4-methylphenyl)hexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20,23,25-tridecaene
CID 58411439
2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842
1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene
CID 143742447
3,6-bis(3,5-dimethylphenyl)phenanthrene
CID 91501927
ethane;1,3,6-trimethylnaphthalene
CID 91186069
12-ethyl-7,17-bis(4-methylphenyl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene
CID 118858071
methane;2-methyl-6-phenylnaphthalene
CID 144703390
2-(4-methoxyphenyl)-6-methylnaphthalene
CID 15099897
1,2-difluoro-6-(4-methylphenyl)naphthalene
CID 70883391
2-(4-methylphenyl)-7-phenylnaphthalene
CID 155763940
2-methyl-6-[3-(6-methylnaphthalen-2-yl)phenyl]naphthalene
CID 58943209
1,3-dimethylnaphthalene;ethane
CID 145447624

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-(4-methylphenyl)naphthalene?
The IUPAC name of 1,3-dimethyl-7-(4-methylphenyl)naphthalene (CID 160612509) is 1,3-dimethyl-7-(4-methylphenyl)naphthalene.
What is the SMILES notation for 1,3-dimethyl-7-(4-methylphenyl)naphthalene?
The canonical SMILES for 1,3-dimethyl-7-(4-methylphenyl)naphthalene is Cc1ccc(-c2ccc3cc(C)cc(C)c3c2)cc1.
What is the InChIKey of 1,3-dimethyl-7-(4-methylphenyl)naphthalene?
The InChIKey is SSIMDZNVAMACQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-13-4-6-16(7-5-13)17-8-9-18-11-14(2)10-15(3)19(18)12-17/h4-12H,1-3H3.
What are the key properties of 1,3-dimethyl-7-(4-methylphenyl)naphthalene?
1,3-dimethyl-7-(4-methylphenyl)naphthalene has a molecular weight of 246.35 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-(4-methylphenyl)naphthalene is sourced from PubChem (CID 160612509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).