1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene

C75H72 — CID 162103415

IUPAC1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCc1ccc(-c2ccc3ccccc3c2)cc1.Cc1ccc(-c2ccccc2)c2ccccc12.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1cccc2c(-c3ccccc3)cccc12.Cc1ccccc1C
InChIInChI=1S/3C17H14.3C8H10/c1-13-7-5-12-17-15(13)10-6-11-16(17)14-8-3-2-4-9-14;1-13-11-12-16(14-7-3-2-4-8-14)17-10-6-5-9-15(13)17;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h3*2-12H,1H3;3*3-6H,1-2H3
InChIKeyZFENIUYVRHUGSB-UHFFFAOYSA-N
MW973.40 g/mol
LogP21.36
Rot. Bonds3

About 1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene

1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene (PubChem CID 162103415) has the molecular formula C75H72 and a molecular weight of 973.40 g/mol. Its IUPAC name is 1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
PubChem CID162103415
Molecular FormulaC75H72
Molecular Weight973.40 g/mol
Exact Mass972.56
IUPAC Name1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCc1ccc(-c2ccc3ccccc3c2)cc1.Cc1ccc(-c2ccccc2)c2ccccc12.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1cccc2c(-c3ccccc3)cccc12.Cc1ccccc1C
InChIInChI=1S/3C17H14.3C8H10/c1-13-7-5-12-17-15(13)10-6-11-16(17)14-8-3-2-4-9-14;1-13-11-12-16(14-7-3-2-4-8-14)17-10-6-5-9-15(13)17;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h3*2-12H,1H3;3*3-6H,1-2H3
InChIKeyZFENIUYVRHUGSB-UHFFFAOYSA-N
XLogP21.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.40
LogP ≤ 521.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 158886123
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene?
The IUPAC name of 1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene (CID 162103415) is 1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene?
The canonical SMILES for 1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene is Cc1ccc(-c2ccc3ccccc3c2)cc1.Cc1ccc(-c2ccccc2)c2ccccc12.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1cccc2c(-c3ccccc3)cccc12.Cc1ccccc1C.
What is the InChIKey of 1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene?
The InChIKey is ZFENIUYVRHUGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H14.3C8H10/c1-13-7-5-12-17-15(13)10-6-11-16(17)14-8-3-2-4-9-14;1-13-11-12-16(14-7-3-2-4-8-14)17-10-6-5-9-15(13)17;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h3*2-12H,1H3;3*3-6H,1-2H3.
What are the key properties of 1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene?
1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene has a molecular weight of 973.40 g/mol, XLogP of 21.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 162103415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).