CID 135043003

C31H27O4- — CID 135043003

IUPAC—
SMILESCOCOc1cc2ccccc2c2c1Cc1cc[cH-]c1Cc1c(OCOC)cc3ccccc3c1-2
InChIInChI=1S/C31H27O4/c1-32-18-34-28-16-22-8-3-5-12-24(22)30-26(28)14-20-10-7-11-21(20)15-27-29(35-19-33-2)17-23-9-4-6-13-25(23)31(27)30/h3-13,16-17H,14-15,18-19H2,1-2H3/q-1
InChIKeyHRVVBMMTPIMFJN-UHFFFAOYSA-N
MW463.55 g/mol
LogP6.84
Rot. Bonds6

About CID 135043003

CID 135043003 (PubChem CID 135043003) has the molecular formula C31H27O4- and a molecular weight of 463.55 g/mol.

Molecular Properties

Compound NameCID 135043003
PubChem CID135043003
Molecular FormulaC31H27O4-
Molecular Weight463.55 g/mol
Exact Mass463.19
IUPAC Name—
SMILESCOCOc1cc2ccccc2c2c1Cc1cc[cH-]c1Cc1c(OCOC)cc3ccccc3c1-2
InChIInChI=1S/C31H27O4/c1-32-18-34-28-16-22-8-3-5-12-24(22)30-26(28)14-20-10-7-11-21(20)15-27-29(35-19-33-2)17-23-9-4-6-13-25(23)31(27)30/h3-13,16-17H,14-15,18-19H2,1-2H3/q-1
InChIKeyHRVVBMMTPIMFJN-UHFFFAOYSA-N
XLogP6.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.55
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 134953859
CID 134953859
2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene
CID 139257429
4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde
CID 15246820
3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;sulfane
CID 155819548
1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine
CID 139257954
1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene
CID 135381311
[1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate
CID 132518889
[3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane
CID 87316581
5-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethyl-3H-inden-1-one
CID 139090295
9,10-bis(methoxymethoxy)anthracene
CID 150706504
methoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane
CID 59921434
2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-methylnaphthalen-1-yl]-6-methylnaphthalene
CID 142064515

Frequently Asked Questions

What is the IUPAC name of CID 135043003?
The IUPAC name of CID 135043003 (CID 135043003) is not available.
What is the SMILES notation for CID 135043003?
The canonical SMILES for CID 135043003 is COCOc1cc2ccccc2c2c1Cc1cc[cH-]c1Cc1c(OCOC)cc3ccccc3c1-2.
What is the InChIKey of CID 135043003?
The InChIKey is HRVVBMMTPIMFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27O4/c1-32-18-34-28-16-22-8-3-5-12-24(22)30-26(28)14-20-10-7-11-21(20)15-27-29(35-19-33-2)17-23-9-4-6-13-25(23)31(27)30/h3-13,16-17H,14-15,18-19H2,1-2H3/q-1.
What are the key properties of CID 135043003?
CID 135043003 has a molecular weight of 463.55 g/mol, XLogP of 6.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135043003 is sourced from PubChem (CID 135043003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).