2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol

C31H24O2 — CID 129231534

IUPAC2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol
SMILESCOCc1cc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c2ccccc2c1O
InChIInChI=1S/C31H24O2/c1-33-20-21-19-29(25-15-5-6-16-26(25)30(21)32)31(22-11-3-2-4-12-22)27-17-9-7-13-23(27)24-14-8-10-18-28(24)31/h2-19,32H,20H2,1H3
InChIKeyBWVJNZNFUSZHSG-UHFFFAOYSA-N
MW428.53 g/mol
LogP7.05
Rot. Bonds4

About 2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol

2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol (PubChem CID 129231534) has the molecular formula C31H24O2 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol.

Molecular Properties

Compound Name2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol
PubChem CID129231534
Molecular FormulaC31H24O2
Molecular Weight428.53 g/mol
Exact Mass428.18
IUPAC Name2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol
SMILESCOCc1cc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c2ccccc2c1O
InChIInChI=1S/C31H24O2/c1-33-20-21-19-29(25-15-5-6-16-26(25)30(21)32)31(22-11-3-2-4-12-22)27-17-9-7-13-23(27)24-14-8-10-18-28(24)31/h2-19,32H,20H2,1H3
InChIKeyBWVJNZNFUSZHSG-UHFFFAOYSA-N
XLogP7.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol?
The IUPAC name of 2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol (CID 129231534) is 2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol.
What is the SMILES notation for 2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol?
The canonical SMILES for 2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol is COCc1cc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c2ccccc2c1O.
What is the InChIKey of 2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol?
The InChIKey is BWVJNZNFUSZHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24O2/c1-33-20-21-19-29(25-15-5-6-16-26(25)30(21)32)31(22-11-3-2-4-12-22)27-17-9-7-13-23(27)24-14-8-10-18-28(24)31/h2-19,32H,20H2,1H3.
What are the key properties of 2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol?
2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol has a molecular weight of 428.53 g/mol, XLogP of 7.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol is sourced from PubChem (CID 129231534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).