1-butan-2-yl-2-[(4-prop-2-enylphenyl)methoxy]naphthalene

C24H26O — CID 145446987

IUPAC1-butan-2-yl-2-[(4-prop-2-enylphenyl)methoxy]naphthalene
SMILESC=CCc1ccc(COc2ccc3ccccc3c2C(C)CC)cc1
InChIInChI=1S/C24H26O/c1-4-8-19-11-13-20(14-12-19)17-25-23-16-15-21-9-6-7-10-22(21)24(23)18(3)5-2/h4,6-7,9-16,18H,1,5,8,17H2,2-3H3
InChIKeyTXVZEANICPUCKV-UHFFFAOYSA-N
MW330.47 g/mol
LogP6.66
Rot. Bonds7

About 1-butan-2-yl-2-[(4-prop-2-enylphenyl)methoxy]naphthalene

1-butan-2-yl-2-[(4-prop-2-enylphenyl)methoxy]naphthalene (PubChem CID 145446987) has the molecular formula C24H26O and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-butan-2-yl-2-[(4-prop-2-enylphenyl)methoxy]naphthalene.

Molecular Properties

Compound Name1-butan-2-yl-2-[(4-prop-2-enylphenyl)methoxy]naphthalene
PubChem CID145446987
Molecular FormulaC24H26O
Molecular Weight330.47 g/mol
Exact Mass330.20
IUPAC Name1-butan-2-yl-2-[(4-prop-2-enylphenyl)methoxy]naphthalene
SMILESC=CCc1ccc(COc2ccc3ccccc3c2C(C)CC)cc1
InChIInChI=1S/C24H26O/c1-4-8-19-11-13-20(14-12-19)17-25-23-16-15-21-9-6-7-10-22(21)24(23)18(3)5-2/h4,6-7,9-16,18H,1,5,8,17H2,2-3H3
InChIKeyTXVZEANICPUCKV-UHFFFAOYSA-N
XLogP6.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylmethoxynaphthalen-1-yl)propan-1-ol
CID 163598537
1,5-dibromo-2,4-bis(2-phenylmethoxynaphthalen-1-yl)pentan-3-one
CID 151098183
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene
CID 54397178
3-prop-2-enylphenanthrene
CID 141440932
(1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 95420558
1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263032
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
12-butan-2-ylbenzo[a]anthracene
CID 145179734
(1R)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171213379
N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide
CID 8901914
2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene
CID 11227562

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[(4-prop-2-enylphenyl)methoxy]naphthalene?
The IUPAC name of 1-butan-2-yl-2-[(4-prop-2-enylphenyl)methoxy]naphthalene (CID 145446987) is 1-butan-2-yl-2-[(4-prop-2-enylphenyl)methoxy]naphthalene.
What is the SMILES notation for 1-butan-2-yl-2-[(4-prop-2-enylphenyl)methoxy]naphthalene?
The canonical SMILES for 1-butan-2-yl-2-[(4-prop-2-enylphenyl)methoxy]naphthalene is C=CCc1ccc(COc2ccc3ccccc3c2C(C)CC)cc1.
What is the InChIKey of 1-butan-2-yl-2-[(4-prop-2-enylphenyl)methoxy]naphthalene?
The InChIKey is TXVZEANICPUCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O/c1-4-8-19-11-13-20(14-12-19)17-25-23-16-15-21-9-6-7-10-22(21)24(23)18(3)5-2/h4,6-7,9-16,18H,1,5,8,17H2,2-3H3.
What are the key properties of 1-butan-2-yl-2-[(4-prop-2-enylphenyl)methoxy]naphthalene?
1-butan-2-yl-2-[(4-prop-2-enylphenyl)methoxy]naphthalene has a molecular weight of 330.47 g/mol, XLogP of 6.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[(4-prop-2-enylphenyl)methoxy]naphthalene is sourced from PubChem (CID 145446987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).