(E)-4-naphthalen-1-ylbut-3-en-2-ol

C14H14O — CID 13482503

IUPAC(E)-4-naphthalen-1-ylbut-3-en-2-ol
SMILESCC(O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C14H14O/c1-11(15)9-10-13-7-4-6-12-5-2-3-8-14(12)13/h2-11,15H,1H3/b10-9+
InChIKeyKSZNZVNVDGKNOP-MDZDMXLPSA-N
MW198.26 g/mol
LogP3.23
Rot. Bonds2

About (E)-4-naphthalen-1-ylbut-3-en-2-ol

(E)-4-naphthalen-1-ylbut-3-en-2-ol (PubChem CID 13482503) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is (E)-4-naphthalen-1-ylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-naphthalen-1-ylbut-3-en-2-ol
PubChem CID13482503
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name(E)-4-naphthalen-1-ylbut-3-en-2-ol
SMILESCC(O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C14H14O/c1-11(15)9-10-13-7-4-6-12-5-2-3-8-14(12)13/h2-11,15H,1H3/b10-9+
InChIKeyKSZNZVNVDGKNOP-MDZDMXLPSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate
CID 101381635
(E,2R)-4-anthracen-9-ylbut-3-en-2-ol
CID 102394494
1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 139835020
2-naphthalen-1-ylethenamine
CID 69243468
1-(2-bromoethenyl)naphthalene
CID 71403351
1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene
CID 101000722
1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261
N,N-dimethyl-2-naphthalen-1-ylethenamine
CID 139703260
(Z)-N,N-dimethyl-2-naphthalen-1-ylethenamine
CID 163840781
1-ethenylnaphthalene;propane
CID 90732485
4-[(E)-2-naphthalen-1-ylethenyl]naphthalen-1-ol
CID 139980470
1-naphthalen-1-yl-N-propan-2-ylmethanimine
CID 10352682

Frequently Asked Questions

What is the IUPAC name of (E)-4-naphthalen-1-ylbut-3-en-2-ol?
The IUPAC name of (E)-4-naphthalen-1-ylbut-3-en-2-ol (CID 13482503) is (E)-4-naphthalen-1-ylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-naphthalen-1-ylbut-3-en-2-ol?
The canonical SMILES for (E)-4-naphthalen-1-ylbut-3-en-2-ol is CC(O)/C=C/c1cccc2ccccc12.
What is the InChIKey of (E)-4-naphthalen-1-ylbut-3-en-2-ol?
The InChIKey is KSZNZVNVDGKNOP-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H14O/c1-11(15)9-10-13-7-4-6-12-5-2-3-8-14(12)13/h2-11,15H,1H3/b10-9+.
What are the key properties of (E)-4-naphthalen-1-ylbut-3-en-2-ol?
(E)-4-naphthalen-1-ylbut-3-en-2-ol has a molecular weight of 198.26 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-naphthalen-1-ylbut-3-en-2-ol is sourced from PubChem (CID 13482503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).