1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene

C22H24O — CID 163194899

IUPAC1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene
SMILESCc1cc2c(C(C)C)ccc(C)c2cc1OCc1ccccc1
InChIInChI=1S/C22H24O/c1-15(2)19-11-10-16(3)20-13-22(17(4)12-21(19)20)23-14-18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3
InChIKeyUMXUOKROQRJEPT-UHFFFAOYSA-N
MW304.43 g/mol
LogP6.16
Rot. Bonds4

About 1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene

1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene (PubChem CID 163194899) has the molecular formula C22H24O and a molecular weight of 304.43 g/mol. Its IUPAC name is 1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene.

Molecular Properties

Compound Name1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene
PubChem CID163194899
Molecular FormulaC22H24O
Molecular Weight304.43 g/mol
Exact Mass304.18
IUPAC Name1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene
SMILESCc1cc2c(C(C)C)ccc(C)c2cc1OCc1ccccc1
InChIInChI=1S/C22H24O/c1-15(2)19-11-10-16(3)20-13-22(17(4)12-21(19)20)23-14-18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3
InChIKeyUMXUOKROQRJEPT-UHFFFAOYSA-N
XLogP6.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate
CID 159260366
3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole
CID 59167412
6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 102507798
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
(2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid
CID 164892116
ethane;1-methyl-4-propan-2-ylanthracene
CID 144783014
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene
CID 174337570
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139
7-fluoro-2-(2-methylphenyl)-6-phenylmethoxy-4-propan-2-ylisoquinolin-1-one
CID 163231900
5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene
CID 165177480
1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
CID 170547313

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene?
The IUPAC name of 1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene (CID 163194899) is 1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene.
What is the SMILES notation for 1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene?
The canonical SMILES for 1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene is Cc1cc2c(C(C)C)ccc(C)c2cc1OCc1ccccc1.
What is the InChIKey of 1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene?
The InChIKey is UMXUOKROQRJEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O/c1-15(2)19-11-10-16(3)20-13-22(17(4)12-21(19)20)23-14-18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3.
What are the key properties of 1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene?
1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene has a molecular weight of 304.43 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene is sourced from PubChem (CID 163194899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).