4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene

C18H18O — CID 23121671

IUPAC4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
SMILESCC1=CCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C18H18O/c1-14-6-5-9-16-12-17(10-11-18(14)16)19-13-15-7-3-2-4-8-15/h2-4,6-8,10-12H,5,9,13H2,1H3
InChIKeyBLRRBWIUGJBICB-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.62
Rot. Bonds3

About 4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene

4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene (PubChem CID 23121671) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene.

Molecular Properties

Compound Name4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
PubChem CID23121671
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
SMILESCC1=CCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C18H18O/c1-14-6-5-9-16-12-17(10-11-18(14)16)19-13-15-7-3-2-4-8-15/h2-4,6-8,10-12H,5,9,13H2,1H3
InChIKeyBLRRBWIUGJBICB-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 23121517
(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate
CID 129096575
methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 59590801
(2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 23111685
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride
CID 139438489
1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione
CID 122641936
3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole
CID 142721259
(2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid
CID 68909509
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
1,1-dimethyl-5-phenylmethoxy-2,3-dihydroindol-1-ium
CID 76846919
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
ethyl 2-methyl-2-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoate
CID 23525929

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene?
The IUPAC name of 4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene (CID 23121671) is 4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene.
What is the SMILES notation for 4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene?
The canonical SMILES for 4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene is CC1=CCCc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene?
The InChIKey is BLRRBWIUGJBICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-14-6-5-9-16-12-17(10-11-18(14)16)19-13-15-7-3-2-4-8-15/h2-4,6-8,10-12H,5,9,13H2,1H3.
What are the key properties of 4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene?
4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene has a molecular weight of 250.34 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene is sourced from PubChem (CID 23121671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).