(1Z)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-ol

C13H16O — CID 103971061

IUPAC(1Z)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-ol
SMILESCC(O)/C=C1/CCCc2ccccc21
InChIInChI=1S/C13H16O/c1-10(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-3,5,8-10,14H,4,6-7H2,1H3/b12-9-
InChIKeyMDHJYRGVASDEPV-XFXZXTDPSA-N
MW188.27 g/mol
LogP2.79
Rot. Bonds1

About (1Z)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-ol

(1Z)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-ol (PubChem CID 103971061) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (1Z)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-ol.

Molecular Properties

Compound Name(1Z)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-ol
PubChem CID103971061
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(1Z)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-ol
SMILESCC(O)/C=C1/CCCc2ccccc21
InChIInChI=1S/C13H16O/c1-10(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-3,5,8-10,14H,4,6-7H2,1H3/b12-9-
InChIKeyMDHJYRGVASDEPV-XFXZXTDPSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-ol?
The IUPAC name of (1Z)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-ol (CID 103971061) is (1Z)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-ol.
What is the SMILES notation for (1Z)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-ol?
The canonical SMILES for (1Z)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-ol is CC(O)/C=C1/CCCc2ccccc21.
What is the InChIKey of (1Z)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-ol?
The InChIKey is MDHJYRGVASDEPV-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H16O/c1-10(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-3,5,8-10,14H,4,6-7H2,1H3/b12-9-.
What are the key properties of (1Z)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-ol?
(1Z)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-ol has a molecular weight of 188.27 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-ol is sourced from PubChem (CID 103971061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).