1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene

C24H22O2 — CID 173197365

IUPAC1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene
SMILESCOC1=CCCC(c2ccccc2-c2ccc(OC)c3ccccc23)=C1
InChIInChI=1S/C24H22O2/c1-25-18-9-7-8-17(16-18)19-10-3-4-11-20(19)22-14-15-24(26-2)23-13-6-5-12-21(22)23/h3-6,9-16H,7-8H2,1-2H3
InChIKeyGTMOXVUKTLKPMZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP6.22
Rot. Bonds4

About 1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene

1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene (PubChem CID 173197365) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene.

Molecular Properties

Compound Name1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene
PubChem CID173197365
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene
SMILESCOC1=CCCC(c2ccccc2-c2ccc(OC)c3ccccc23)=C1
InChIInChI=1S/C24H22O2/c1-25-18-9-7-8-17(16-18)19-10-3-4-11-20(19)22-14-15-24(26-2)23-13-6-5-12-21(22)23/h3-6,9-16H,7-8H2,1-2H3
InChIKeyGTMOXVUKTLKPMZ-UHFFFAOYSA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene
CID 173197399
1-chloro-4-(3-methoxycyclohexa-1,3-dien-1-yl)benzene
CID 22415210
3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde
CID 106888428
1-[5-methoxy-2-(3-phenoxycyclohexa-1,3-dien-1-yl)phenyl]-3,5-dimethylbenzene
CID 173197395
2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene
CID 165356371
1-(cyclobuten-1-yl)-3-methoxy-2-[(2-methylphenyl)methoxy]benzene
CID 11680726
5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene
CID 122402189
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657
1-chloro-4-methoxynaphthalene
CID 606038
1-[2-(2-methoxyphenyl)phenyl]naphthalene
CID 175027379
7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171974415
1,2-dimethoxybiphenylene;isocyanic acid
CID 87379313

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene?
The IUPAC name of 1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene (CID 173197365) is 1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene.
What is the SMILES notation for 1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene?
The canonical SMILES for 1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene is COC1=CCCC(c2ccccc2-c2ccc(OC)c3ccccc23)=C1.
What is the InChIKey of 1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene?
The InChIKey is GTMOXVUKTLKPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c1-25-18-9-7-8-17(16-18)19-10-3-4-11-20(19)22-14-15-24(26-2)23-13-6-5-12-21(22)23/h3-6,9-16H,7-8H2,1-2H3.
What are the key properties of 1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene?
1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene has a molecular weight of 342.44 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene is sourced from PubChem (CID 173197365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).