1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol

C18H18O — CID 68548317

IUPAC1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol
SMILESCC1=C(c2ccc3ccccc3c2C(C)O)CC=C1
InChIInChI=1S/C18H18O/c1-12-6-5-9-15(12)17-11-10-14-7-3-4-8-16(14)18(17)13(2)19/h3-8,10-11,13,19H,9H2,1-2H3
InChIKeyLNQKSPHMEYZNHF-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.63
Rot. Bonds2

About 1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol

1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol (PubChem CID 68548317) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol.

Molecular Properties

Compound Name1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol
PubChem CID68548317
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol
SMILESCC1=C(c2ccc3ccccc3c2C(C)O)CC=C1
InChIInChI=1S/C18H18O/c1-12-6-5-9-15(12)17-11-10-14-7-3-4-8-16(14)18(17)13(2)19/h3-8,10-11,13,19H,9H2,1-2H3
InChIKeyLNQKSPHMEYZNHF-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol?
The IUPAC name of 1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol (CID 68548317) is 1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol.
What is the SMILES notation for 1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol?
The canonical SMILES for 1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol is CC1=C(c2ccc3ccccc3c2C(C)O)CC=C1.
What is the InChIKey of 1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol?
The InChIKey is LNQKSPHMEYZNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-12-6-5-9-15(12)17-11-10-14-7-3-4-8-16(14)18(17)13(2)19/h3-8,10-11,13,19H,9H2,1-2H3.
What are the key properties of 1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol?
1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol has a molecular weight of 250.34 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol is sourced from PubChem (CID 68548317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).