1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene

C15H18O — CID 90312399

IUPAC1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene
SMILESCc1cc(OC(C)(C)C)cc2ccccc12
InChIInChI=1S/C15H18O/c1-11-9-13(16-15(2,3)4)10-12-7-5-6-8-14(11)12/h5-10H,1-4H3
InChIKeyPVLTWHNWZINJRP-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.33
Rot. Bonds1

About 1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene

1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene (PubChem CID 90312399) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene.

Molecular Properties

Compound Name1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene
PubChem CID90312399
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene
SMILESCc1cc(OC(C)(C)C)cc2ccccc12
InChIInChI=1S/C15H18O/c1-11-9-13(16-15(2,3)4)10-12-7-5-6-8-14(11)12/h5-10H,1-4H3
InChIKeyPVLTWHNWZINJRP-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
CID 58049667
1,3-dimethylnaphthalene;ethane
CID 145447624
3-iodo-1-methylnaphthalene
CID 11715949
3-bromo-1-methylnaphthalene
CID 18673607
3-fluoro-2-[2-methyl-1-(4-methylnaphthalen-2-yl)oxypropan-2-yl]phenol
CID 163764534
3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene
CID 71127700
1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene
CID 54470765
ethane;4-methylnaphthalen-2-amine
CID 144829259
ethane;methane;9-methylphenanthrene
CID 169171289
ethane;methane;9-methylphenanthrene
CID 144916914
1-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 123252856
3-(3-methoxyphenyl)-1-methylnaphthalene
CID 59399504

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene?
The IUPAC name of 1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene (CID 90312399) is 1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene.
What is the SMILES notation for 1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene?
The canonical SMILES for 1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene is Cc1cc(OC(C)(C)C)cc2ccccc12.
What is the InChIKey of 1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene?
The InChIKey is PVLTWHNWZINJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-11-9-13(16-15(2,3)4)10-12-7-5-6-8-14(11)12/h5-10H,1-4H3.
What are the key properties of 1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene?
1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene has a molecular weight of 214.31 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene is sourced from PubChem (CID 90312399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).